USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1001 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 THR OG1 : rot 180:sc= 0.00167 USER MOD Set 1.2: A 115 ASN : amide:sc= -0.0516 X(o=-0.05,f=-0.073) USER MOD Set 2.1: A 40 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 43 THR OG1 : rot -160:sc= 0 USER MOD Set 3.1: A 12 GLN : amide:sc= -0.168 K(o=-0.17,f=-2.6!) USER MOD Set 3.2: A 16 LYS NZ :NH3+ -123:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 110:sc= 0.0565 USER MOD Single : A 17 THR OG1 : rot 85:sc= 1.09 USER MOD Single : A 19 ASN : amide:sc= -0.103 K(o=-0.1,f=-0.7) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -66:sc= 0.848 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -139:sc= 0.459 USER MOD Single : A 29 THR OG1 : rot -87:sc= 0.116 USER MOD Single : A 32 THR OG1 : rot 32:sc= 0.304 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.0159) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.396 USER MOD Single : A 46 LYS NZ :NH3+ -118:sc=-0.00676 (180deg=-1.3) USER MOD Single : A 48 THR OG1 : rot 64:sc= -0.874 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00207 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 96:sc= 0.918 USER MOD Single : A 62 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.62) USER MOD Single : A 63 HIS : no HD1:sc= -2.08 K(o=-2.1,f=-0.7) USER MOD Single : A 65 LYS NZ :NH3+ 154:sc=-0.00551 (180deg=-0.32) USER MOD Single : A 67 THR OG1 : rot 73:sc= 1.11 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.078 USER MOD Single : A 75 GLN : amide:sc= -1.21! K(o=-1.2!,f=0) USER MOD Single : A 76 GLN : amide:sc= -2.37! K(o=-2.4!,f=-0.17) USER MOD Single : A 78 HIS : no HD1:sc= -0.898 K(o=-0.9,f=-0.26) USER MOD Single : A 80 HIS : no HD1:sc= -1.92 K(o=-1.9,f=-0.59) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -113:sc= -2.22 (180deg=-4.2!) USER MOD Single : A 93 ASN : amide:sc= -3.85! C(o=-3.8!,f=-9.9!) USER MOD Single : A 101 ASN : amide:sc= -0.0288 X(o=-0.029,f=-0.41) USER MOD Single : A 102 SER OG : rot 180:sc= 0.105 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= -0.313 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 79:sc= 0.132 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.548) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -17.410 6.032 2.027 1.00 0.74 N ATOM 103 CA ASP A 8 -16.131 6.203 2.771 1.00 0.70 C ATOM 104 C ASP A 8 -15.205 7.135 1.987 1.00 0.60 C ATOM 105 O ASP A 8 -14.552 6.729 1.046 1.00 1.00 O ATOM 106 CB ASP A 8 -15.456 4.840 2.944 1.00 0.63 C ATOM 107 CG ASP A 8 -15.313 4.526 4.434 1.00 0.85 C ATOM 108 OD1 ASP A 8 -16.240 3.963 4.993 1.00 1.75 O ATOM 109 OD2 ASP A 8 -14.279 4.855 4.992 1.00 0.94 O ATOM 0 HA ASP A 8 -16.335 6.635 3.751 1.00 0.70 H new ATOM 0 HB2 ASP A 8 -16.046 4.066 2.453 1.00 0.63 H new ATOM 0 HB3 ASP A 8 -14.476 4.845 2.467 1.00 0.63 H new ATOM 114 N ILE A 9 -15.143 8.381 2.368 1.00 0.16 N ATOM 115 CA ILE A 9 -14.258 9.337 1.644 1.00 0.08 C ATOM 116 C ILE A 9 -12.804 8.879 1.766 1.00 0.13 C ATOM 117 O ILE A 9 -11.948 9.281 1.002 1.00 0.12 O ATOM 118 CB ILE A 9 -14.406 10.732 2.254 1.00 0.22 C ATOM 119 CG1 ILE A 9 -13.700 11.755 1.361 1.00 0.50 C ATOM 120 CG2 ILE A 9 -13.773 10.750 3.647 1.00 0.51 C ATOM 121 CD1 ILE A 9 -13.980 13.167 1.882 1.00 0.26 C ATOM 0 H ILE A 9 -15.666 8.778 3.148 1.00 0.16 H new ATOM 0 HA ILE A 9 -14.542 9.369 0.592 1.00 0.08 H new ATOM 0 HB ILE A 9 -15.464 10.984 2.332 1.00 0.22 H new ATOM 0 HG12 ILE A 9 -12.627 11.566 1.351 1.00 0.50 H new ATOM 0 HG13 ILE A 9 -14.050 11.659 0.333 1.00 0.50 H new ATOM 0 HG21 ILE A 9 -13.878 11.744 4.082 1.00 0.51 H new ATOM 0 HG22 ILE A 9 -14.274 10.021 4.284 1.00 0.51 H new ATOM 0 HG23 ILE A 9 -12.715 10.498 3.569 1.00 0.51 H new ATOM 0 HD11 ILE A 9 -13.477 13.896 1.246 1.00 0.26 H new ATOM 0 HD12 ILE A 9 -15.054 13.353 1.869 1.00 0.26 H new ATOM 0 HD13 ILE A 9 -13.608 13.259 2.903 1.00 0.26 H new ATOM 133 N THR A 10 -12.516 8.037 2.722 1.00 0.21 N ATOM 134 CA THR A 10 -11.117 7.553 2.893 1.00 0.26 C ATOM 135 C THR A 10 -10.665 6.841 1.617 1.00 0.26 C ATOM 136 O THR A 10 -9.545 6.996 1.171 1.00 0.28 O ATOM 137 CB THR A 10 -11.056 6.577 4.070 1.00 0.32 C ATOM 138 OG1 THR A 10 -11.883 7.052 5.122 1.00 0.30 O ATOM 139 CG2 THR A 10 -9.614 6.461 4.565 1.00 0.40 C ATOM 0 H THR A 10 -13.189 7.664 3.391 1.00 0.21 H new ATOM 0 HA THR A 10 -10.460 8.401 3.089 1.00 0.26 H new ATOM 0 HB THR A 10 -11.407 5.597 3.747 1.00 0.32 H new ATOM 0 HG1 THR A 10 -12.670 6.475 5.205 1.00 0.30 H new ATOM 0 HG21 THR A 10 -9.572 5.766 5.403 1.00 0.40 H new ATOM 0 HG22 THR A 10 -8.980 6.094 3.757 1.00 0.40 H new ATOM 0 HG23 THR A 10 -9.260 7.440 4.888 1.00 0.40 H new ATOM 147 N LEU A 11 -11.526 6.061 1.026 1.00 0.28 N ATOM 148 CA LEU A 11 -11.145 5.339 -0.219 1.00 0.26 C ATOM 149 C LEU A 11 -10.879 6.353 -1.333 1.00 0.23 C ATOM 150 O LEU A 11 -10.219 6.058 -2.310 1.00 0.22 O ATOM 151 CB LEU A 11 -12.289 4.409 -0.638 1.00 0.25 C ATOM 152 CG LEU A 11 -12.329 3.187 0.288 1.00 0.45 C ATOM 153 CD1 LEU A 11 -13.718 2.549 0.223 1.00 0.36 C ATOM 154 CD2 LEU A 11 -11.283 2.153 -0.152 1.00 0.81 C ATOM 0 H LEU A 11 -12.478 5.892 1.352 1.00 0.28 H new ATOM 0 HA LEU A 11 -10.245 4.751 -0.039 1.00 0.26 H new ATOM 0 HB2 LEU A 11 -13.239 4.942 -0.593 1.00 0.25 H new ATOM 0 HB3 LEU A 11 -12.151 4.090 -1.671 1.00 0.25 H new ATOM 0 HG LEU A 11 -12.110 3.508 1.306 1.00 0.45 H new ATOM 0 HD11 LEU A 11 -13.750 1.680 0.880 1.00 0.36 H new ATOM 0 HD12 LEU A 11 -14.467 3.274 0.543 1.00 0.36 H new ATOM 0 HD13 LEU A 11 -13.928 2.238 -0.800 1.00 0.36 H new ATOM 0 HD21 LEU A 11 -11.322 1.291 0.513 1.00 0.81 H new ATOM 0 HD22 LEU A 11 -11.494 1.834 -1.173 1.00 0.81 H new ATOM 0 HD23 LEU A 11 -10.290 2.600 -0.110 1.00 0.81 H new ATOM 166 N GLN A 12 -11.385 7.548 -1.194 1.00 0.22 N ATOM 167 CA GLN A 12 -11.160 8.580 -2.244 1.00 0.20 C ATOM 168 C GLN A 12 -9.754 9.165 -2.091 1.00 0.22 C ATOM 169 O GLN A 12 -8.909 9.007 -2.950 1.00 0.23 O ATOM 170 CB GLN A 12 -12.196 9.696 -2.094 1.00 0.20 C ATOM 171 CG GLN A 12 -12.184 10.576 -3.345 1.00 0.21 C ATOM 172 CD GLN A 12 -12.681 11.978 -2.989 1.00 0.72 C ATOM 173 OE1 GLN A 12 -13.224 12.189 -1.922 1.00 1.35 O ATOM 174 NE2 GLN A 12 -12.518 12.952 -3.842 1.00 1.56 N ATOM 0 H GLN A 12 -11.945 7.854 -0.398 1.00 0.22 H new ATOM 0 HA GLN A 12 -11.259 8.123 -3.229 1.00 0.20 H new ATOM 0 HB2 GLN A 12 -13.188 9.268 -1.947 1.00 0.20 H new ATOM 0 HB3 GLN A 12 -11.974 10.297 -1.212 1.00 0.20 H new ATOM 0 HG2 GLN A 12 -11.175 10.630 -3.755 1.00 0.21 H new ATOM 0 HG3 GLN A 12 -12.819 10.139 -4.116 1.00 0.21 H new ATOM 0 HE21 GLN A 12 -12.062 12.775 -4.737 1.00 1.56 H new ATOM 0 HE22 GLN A 12 -12.846 13.890 -3.613 1.00 1.56 H new ATOM 183 N GLU A 13 -9.496 9.839 -1.004 1.00 0.22 N ATOM 184 CA GLU A 13 -8.145 10.432 -0.799 1.00 0.25 C ATOM 185 C GLU A 13 -7.084 9.337 -0.930 1.00 0.25 C ATOM 186 O GLU A 13 -5.921 9.609 -1.151 1.00 0.26 O ATOM 187 CB GLU A 13 -8.067 11.061 0.595 1.00 0.28 C ATOM 188 CG GLU A 13 -7.936 9.960 1.650 1.00 0.28 C ATOM 189 CD GLU A 13 -6.455 9.678 1.912 1.00 1.26 C ATOM 190 OE1 GLU A 13 -5.810 10.520 2.515 1.00 1.75 O ATOM 191 OE2 GLU A 13 -5.992 8.626 1.507 1.00 2.15 O ATOM 0 H GLU A 13 -10.162 10.004 -0.249 1.00 0.22 H new ATOM 0 HA GLU A 13 -7.967 11.201 -1.551 1.00 0.25 H new ATOM 0 HB2 GLU A 13 -7.214 11.737 0.653 1.00 0.28 H new ATOM 0 HB3 GLU A 13 -8.959 11.657 0.786 1.00 0.28 H new ATOM 0 HG2 GLU A 13 -8.428 10.266 2.573 1.00 0.28 H new ATOM 0 HG3 GLU A 13 -8.435 9.053 1.309 1.00 0.28 H new ATOM 198 N ILE A 14 -7.478 8.100 -0.796 1.00 0.27 N ATOM 199 CA ILE A 14 -6.493 6.987 -0.916 1.00 0.27 C ATOM 200 C ILE A 14 -6.130 6.787 -2.388 1.00 0.27 C ATOM 201 O ILE A 14 -4.983 6.889 -2.774 1.00 0.31 O ATOM 202 CB ILE A 14 -7.110 5.700 -0.363 1.00 0.27 C ATOM 203 CG1 ILE A 14 -6.955 5.675 1.160 1.00 0.26 C ATOM 204 CG2 ILE A 14 -6.393 4.490 -0.966 1.00 0.31 C ATOM 205 CD1 ILE A 14 -7.849 4.580 1.745 1.00 0.26 C ATOM 0 H ILE A 14 -8.438 7.812 -0.609 1.00 0.27 H new ATOM 0 HA ILE A 14 -5.594 7.232 -0.350 1.00 0.27 H new ATOM 0 HB ILE A 14 -8.168 5.663 -0.623 1.00 0.27 H new ATOM 0 HG12 ILE A 14 -5.914 5.491 1.427 1.00 0.26 H new ATOM 0 HG13 ILE A 14 -7.226 6.644 1.580 1.00 0.26 H new ATOM 0 HG21 ILE A 14 -6.832 3.573 -0.572 1.00 0.31 H new ATOM 0 HG22 ILE A 14 -6.500 4.507 -2.051 1.00 0.31 H new ATOM 0 HG23 ILE A 14 -5.335 4.527 -0.705 1.00 0.31 H new ATOM 0 HD11 ILE A 14 -7.739 4.561 2.829 1.00 0.26 H new ATOM 0 HD12 ILE A 14 -8.889 4.784 1.489 1.00 0.26 H new ATOM 0 HD13 ILE A 14 -7.557 3.614 1.334 1.00 0.26 H new ATOM 217 N ILE A 15 -7.099 6.502 -3.214 1.00 0.25 N ATOM 218 CA ILE A 15 -6.809 6.297 -4.661 1.00 0.26 C ATOM 219 C ILE A 15 -5.920 7.434 -5.168 1.00 0.25 C ATOM 220 O ILE A 15 -4.935 7.211 -5.844 1.00 0.25 O ATOM 221 CB ILE A 15 -8.121 6.285 -5.448 1.00 0.28 C ATOM 222 CG1 ILE A 15 -8.835 4.950 -5.225 1.00 0.31 C ATOM 223 CG2 ILE A 15 -7.825 6.461 -6.938 1.00 0.34 C ATOM 224 CD1 ILE A 15 -10.280 5.055 -5.718 1.00 0.36 C ATOM 0 H ILE A 15 -8.079 6.402 -2.949 1.00 0.25 H new ATOM 0 HA ILE A 15 -6.296 5.345 -4.798 1.00 0.26 H new ATOM 0 HB ILE A 15 -8.757 7.101 -5.106 1.00 0.28 H new ATOM 0 HG12 ILE A 15 -8.315 4.154 -5.758 1.00 0.31 H new ATOM 0 HG13 ILE A 15 -8.819 4.689 -4.167 1.00 0.31 H new ATOM 0 HG21 ILE A 15 -8.760 6.452 -7.498 1.00 0.34 H new ATOM 0 HG22 ILE A 15 -7.315 7.411 -7.098 1.00 0.34 H new ATOM 0 HG23 ILE A 15 -7.189 5.645 -7.281 1.00 0.34 H new ATOM 0 HD11 ILE A 15 -10.789 4.104 -5.559 1.00 0.36 H new ATOM 0 HD12 ILE A 15 -10.797 5.840 -5.165 1.00 0.36 H new ATOM 0 HD13 ILE A 15 -10.285 5.296 -6.781 1.00 0.36 H new ATOM 236 N LYS A 16 -6.259 8.653 -4.847 1.00 0.25 N ATOM 237 CA LYS A 16 -5.433 9.802 -5.311 1.00 0.26 C ATOM 238 C LYS A 16 -4.011 9.661 -4.763 1.00 0.23 C ATOM 239 O LYS A 16 -3.043 9.925 -5.448 1.00 0.25 O ATOM 240 CB LYS A 16 -6.047 11.109 -4.804 1.00 0.26 C ATOM 241 CG LYS A 16 -6.638 11.887 -5.983 1.00 0.68 C ATOM 242 CD LYS A 16 -7.395 13.108 -5.460 1.00 0.61 C ATOM 243 CE LYS A 16 -8.878 12.764 -5.310 1.00 0.86 C ATOM 244 NZ LYS A 16 -9.559 13.832 -4.524 1.00 0.93 N ATOM 0 H LYS A 16 -7.072 8.902 -4.284 1.00 0.25 H new ATOM 0 HA LYS A 16 -5.404 9.813 -6.401 1.00 0.26 H new ATOM 0 HB2 LYS A 16 -6.823 10.897 -4.069 1.00 0.26 H new ATOM 0 HB3 LYS A 16 -5.288 11.709 -4.302 1.00 0.26 H new ATOM 0 HG2 LYS A 16 -5.844 12.201 -6.660 1.00 0.68 H new ATOM 0 HG3 LYS A 16 -7.310 11.247 -6.555 1.00 0.68 H new ATOM 0 HD2 LYS A 16 -6.984 13.420 -4.500 1.00 0.61 H new ATOM 0 HD3 LYS A 16 -7.273 13.946 -6.146 1.00 0.61 H new ATOM 0 HE2 LYS A 16 -9.341 12.669 -6.292 1.00 0.86 H new ATOM 0 HE3 LYS A 16 -8.990 11.802 -4.810 1.00 0.86 H new ATOM 0 HZ1 LYS A 16 -10.016 13.411 -3.690 1.00 0.93 H new ATOM 0 HZ2 LYS A 16 -8.859 14.537 -4.217 1.00 0.93 H new ATOM 0 HZ3 LYS A 16 -10.278 14.294 -5.116 1.00 0.93 H new ATOM 258 N THR A 17 -3.877 9.245 -3.534 1.00 0.21 N ATOM 259 CA THR A 17 -2.519 9.087 -2.943 1.00 0.20 C ATOM 260 C THR A 17 -1.706 8.106 -3.792 1.00 0.26 C ATOM 261 O THR A 17 -0.567 8.360 -4.131 1.00 0.30 O ATOM 262 CB THR A 17 -2.642 8.548 -1.517 1.00 0.14 C ATOM 263 OG1 THR A 17 -3.460 9.421 -0.750 1.00 0.19 O ATOM 264 CG2 THR A 17 -1.254 8.456 -0.881 1.00 0.12 C ATOM 0 H THR A 17 -4.650 9.007 -2.913 1.00 0.21 H new ATOM 0 HA THR A 17 -2.016 10.054 -2.922 1.00 0.20 H new ATOM 0 HB THR A 17 -3.093 7.556 -1.542 1.00 0.14 H new ATOM 0 HG1 THR A 17 -4.402 9.187 -0.883 1.00 0.19 H new ATOM 0 HG21 THR A 17 -1.344 8.072 0.135 1.00 0.12 H new ATOM 0 HG22 THR A 17 -0.628 7.784 -1.469 1.00 0.12 H new ATOM 0 HG23 THR A 17 -0.799 9.446 -0.855 1.00 0.12 H new ATOM 272 N LEU A 18 -2.282 6.987 -4.136 1.00 0.26 N ATOM 273 CA LEU A 18 -1.542 5.992 -4.962 1.00 0.32 C ATOM 274 C LEU A 18 -1.025 6.669 -6.234 1.00 0.37 C ATOM 275 O LEU A 18 0.120 6.511 -6.609 1.00 0.47 O ATOM 276 CB LEU A 18 -2.480 4.845 -5.341 1.00 0.34 C ATOM 277 CG LEU A 18 -3.150 4.293 -4.081 1.00 0.33 C ATOM 278 CD1 LEU A 18 -4.083 3.142 -4.460 1.00 0.32 C ATOM 279 CD2 LEU A 18 -2.077 3.782 -3.117 1.00 0.50 C ATOM 0 H LEU A 18 -3.233 6.719 -3.881 1.00 0.26 H new ATOM 0 HA LEU A 18 -0.701 5.600 -4.391 1.00 0.32 H new ATOM 0 HB2 LEU A 18 -3.236 5.197 -6.043 1.00 0.34 H new ATOM 0 HB3 LEU A 18 -1.921 4.056 -5.844 1.00 0.34 H new ATOM 0 HG LEU A 18 -3.726 5.084 -3.600 1.00 0.33 H new ATOM 0 HD11 LEU A 18 -4.560 2.749 -3.562 1.00 0.32 H new ATOM 0 HD12 LEU A 18 -4.847 3.504 -5.148 1.00 0.32 H new ATOM 0 HD13 LEU A 18 -3.508 2.351 -4.941 1.00 0.32 H new ATOM 0 HD21 LEU A 18 -2.553 3.388 -2.219 1.00 0.50 H new ATOM 0 HD22 LEU A 18 -1.502 2.992 -3.599 1.00 0.50 H new ATOM 0 HD23 LEU A 18 -1.412 4.602 -2.846 1.00 0.50 H new ATOM 291 N ASN A 19 -1.858 7.420 -6.898 1.00 0.30 N ATOM 292 CA ASN A 19 -1.412 8.105 -8.145 1.00 0.34 C ATOM 293 C ASN A 19 -0.135 8.899 -7.861 1.00 0.33 C ATOM 294 O ASN A 19 0.812 8.862 -8.620 1.00 0.34 O ATOM 295 CB ASN A 19 -2.510 9.057 -8.625 1.00 0.39 C ATOM 296 CG ASN A 19 -3.544 8.276 -9.437 1.00 0.57 C ATOM 297 OD1 ASN A 19 -3.192 7.484 -10.289 1.00 1.42 O ATOM 298 ND2 ASN A 19 -4.814 8.467 -9.208 1.00 0.84 N ATOM 0 H ASN A 19 -2.828 7.590 -6.632 1.00 0.30 H new ATOM 0 HA ASN A 19 -1.213 7.362 -8.917 1.00 0.34 H new ATOM 0 HB2 ASN A 19 -2.989 9.536 -7.771 1.00 0.39 H new ATOM 0 HB3 ASN A 19 -2.077 9.850 -9.234 1.00 0.39 H new ATOM 0 HD21 ASN A 19 -5.512 7.952 -9.744 1.00 0.84 H new ATOM 0 HD22 ASN A 19 -5.109 9.132 -8.493 1.00 0.84 H new ATOM 305 N SER A 20 -0.102 9.618 -6.772 1.00 0.33 N ATOM 306 CA SER A 20 1.114 10.413 -6.443 1.00 0.33 C ATOM 307 C SER A 20 2.315 9.474 -6.308 1.00 0.31 C ATOM 308 O SER A 20 3.399 9.768 -6.772 1.00 0.34 O ATOM 309 CB SER A 20 0.897 11.155 -5.123 1.00 0.32 C ATOM 310 OG SER A 20 0.097 12.306 -5.358 1.00 0.66 O ATOM 0 H SER A 20 -0.864 9.689 -6.097 1.00 0.33 H new ATOM 0 HA SER A 20 1.303 11.134 -7.238 1.00 0.33 H new ATOM 0 HB2 SER A 20 0.410 10.500 -4.400 1.00 0.32 H new ATOM 0 HB3 SER A 20 1.856 11.446 -4.694 1.00 0.32 H new ATOM 0 HG SER A 20 -0.046 12.783 -4.514 1.00 0.66 H new ATOM 316 N LEU A 21 2.131 8.348 -5.677 1.00 0.29 N ATOM 317 CA LEU A 21 3.262 7.392 -5.512 1.00 0.31 C ATOM 318 C LEU A 21 3.793 6.985 -6.889 1.00 0.40 C ATOM 319 O LEU A 21 4.985 6.963 -7.124 1.00 0.50 O ATOM 320 CB LEU A 21 2.773 6.150 -4.765 1.00 0.18 C ATOM 321 CG LEU A 21 3.022 6.321 -3.265 1.00 0.29 C ATOM 322 CD1 LEU A 21 2.116 5.367 -2.485 1.00 0.18 C ATOM 323 CD2 LEU A 21 4.486 6.002 -2.944 1.00 0.60 C ATOM 0 H LEU A 21 1.246 8.048 -5.268 1.00 0.29 H new ATOM 0 HA LEU A 21 4.060 7.868 -4.943 1.00 0.31 H new ATOM 0 HB2 LEU A 21 1.710 5.996 -4.952 1.00 0.18 H new ATOM 0 HB3 LEU A 21 3.293 5.265 -5.131 1.00 0.18 H new ATOM 0 HG LEU A 21 2.804 7.350 -2.980 1.00 0.29 H new ATOM 0 HD11 LEU A 21 2.293 5.489 -1.416 1.00 0.18 H new ATOM 0 HD12 LEU A 21 1.073 5.592 -2.708 1.00 0.18 H new ATOM 0 HD13 LEU A 21 2.335 4.339 -2.774 1.00 0.18 H new ATOM 0 HD21 LEU A 21 4.659 6.125 -1.875 1.00 0.60 H new ATOM 0 HD22 LEU A 21 4.706 4.974 -3.231 1.00 0.60 H new ATOM 0 HD23 LEU A 21 5.136 6.680 -3.497 1.00 0.60 H new ATOM 335 N THR A 22 2.917 6.661 -7.801 1.00 0.41 N ATOM 336 CA THR A 22 3.374 6.255 -9.160 1.00 0.54 C ATOM 337 C THR A 22 4.280 7.344 -9.740 1.00 0.66 C ATOM 338 O THR A 22 5.322 7.064 -10.299 1.00 0.86 O ATOM 339 CB THR A 22 2.160 6.063 -10.073 1.00 0.59 C ATOM 340 OG1 THR A 22 1.515 7.313 -10.269 1.00 0.73 O ATOM 341 CG2 THR A 22 1.184 5.078 -9.426 1.00 0.52 C ATOM 0 H THR A 22 1.906 6.660 -7.664 1.00 0.41 H new ATOM 0 HA THR A 22 3.928 5.319 -9.091 1.00 0.54 H new ATOM 0 HB THR A 22 2.487 5.668 -11.035 1.00 0.59 H new ATOM 0 HG1 THR A 22 1.133 7.620 -9.421 1.00 0.73 H new ATOM 0 HG21 THR A 22 0.320 4.942 -10.076 1.00 0.52 H new ATOM 0 HG22 THR A 22 1.680 4.119 -9.276 1.00 0.52 H new ATOM 0 HG23 THR A 22 0.855 5.470 -8.464 1.00 0.52 H new ATOM 349 N GLU A 23 3.893 8.584 -9.610 1.00 0.56 N ATOM 350 CA GLU A 23 4.734 9.686 -10.155 1.00 0.68 C ATOM 351 C GLU A 23 6.181 9.498 -9.692 1.00 0.64 C ATOM 352 O GLU A 23 7.115 9.841 -10.389 1.00 0.68 O ATOM 353 CB GLU A 23 4.206 11.030 -9.648 1.00 0.80 C ATOM 354 CG GLU A 23 2.763 11.221 -10.117 1.00 0.70 C ATOM 355 CD GLU A 23 2.757 11.697 -11.571 1.00 0.88 C ATOM 356 OE1 GLU A 23 3.800 11.629 -12.200 1.00 2.22 O ATOM 357 OE2 GLU A 23 1.710 12.124 -12.029 1.00 1.07 O ATOM 0 H GLU A 23 3.032 8.881 -9.151 1.00 0.56 H new ATOM 0 HA GLU A 23 4.695 9.669 -11.244 1.00 0.68 H new ATOM 0 HB2 GLU A 23 4.253 11.064 -8.560 1.00 0.80 H new ATOM 0 HB3 GLU A 23 4.831 11.842 -10.020 1.00 0.80 H new ATOM 0 HG2 GLU A 23 2.214 10.284 -10.028 1.00 0.70 H new ATOM 0 HG3 GLU A 23 2.257 11.949 -9.483 1.00 0.70 H new ATOM 364 N GLN A 24 6.371 8.955 -8.521 1.00 0.57 N ATOM 365 CA GLN A 24 7.755 8.742 -8.013 1.00 0.57 C ATOM 366 C GLN A 24 8.218 7.330 -8.375 1.00 0.46 C ATOM 367 O GLN A 24 7.443 6.394 -8.374 1.00 0.35 O ATOM 368 CB GLN A 24 7.770 8.910 -6.492 1.00 0.59 C ATOM 369 CG GLN A 24 7.087 10.226 -6.116 1.00 0.51 C ATOM 370 CD GLN A 24 7.518 10.643 -4.708 1.00 1.41 C ATOM 371 OE1 GLN A 24 7.981 11.748 -4.505 1.00 1.29 O ATOM 372 NE2 GLN A 24 7.386 9.799 -3.722 1.00 3.06 N ATOM 0 H GLN A 24 5.627 8.650 -7.894 1.00 0.57 H new ATOM 0 HA GLN A 24 8.426 9.472 -8.466 1.00 0.57 H new ATOM 0 HB2 GLN A 24 7.256 8.073 -6.018 1.00 0.59 H new ATOM 0 HB3 GLN A 24 8.796 8.903 -6.125 1.00 0.59 H new ATOM 0 HG2 GLN A 24 7.352 11.003 -6.833 1.00 0.51 H new ATOM 0 HG3 GLN A 24 6.004 10.110 -6.157 1.00 0.51 H new ATOM 0 HE21 GLN A 24 6.997 8.872 -3.893 1.00 3.06 H new ATOM 0 HE22 GLN A 24 7.671 10.067 -2.780 1.00 3.06 H new ATOM 381 N LYS A 25 9.475 7.168 -8.685 1.00 0.49 N ATOM 382 CA LYS A 25 9.983 5.815 -9.047 1.00 0.41 C ATOM 383 C LYS A 25 11.453 5.695 -8.642 1.00 0.45 C ATOM 384 O LYS A 25 12.346 5.982 -9.415 1.00 0.72 O ATOM 385 CB LYS A 25 9.852 5.609 -10.558 1.00 0.34 C ATOM 386 CG LYS A 25 8.372 5.555 -10.941 1.00 0.35 C ATOM 387 CD LYS A 25 8.234 5.071 -12.386 1.00 0.54 C ATOM 388 CE LYS A 25 8.942 6.050 -13.324 1.00 1.43 C ATOM 389 NZ LYS A 25 8.402 5.894 -14.704 1.00 1.51 N ATOM 0 H LYS A 25 10.171 7.913 -8.703 1.00 0.49 H new ATOM 0 HA LYS A 25 9.400 5.057 -8.524 1.00 0.41 H new ATOM 0 HB2 LYS A 25 10.347 6.421 -11.090 1.00 0.34 H new ATOM 0 HB3 LYS A 25 10.349 4.685 -10.854 1.00 0.34 H new ATOM 0 HG2 LYS A 25 7.836 4.884 -10.269 1.00 0.35 H new ATOM 0 HG3 LYS A 25 7.921 6.542 -10.833 1.00 0.35 H new ATOM 0 HD2 LYS A 25 8.666 4.075 -12.490 1.00 0.54 H new ATOM 0 HD3 LYS A 25 7.181 4.991 -12.655 1.00 0.54 H new ATOM 0 HE2 LYS A 25 8.795 7.073 -12.978 1.00 1.43 H new ATOM 0 HE3 LYS A 25 10.016 5.863 -13.319 1.00 1.43 H new ATOM 0 HZ1 LYS A 25 8.883 6.559 -15.342 1.00 1.51 H new ATOM 0 HZ2 LYS A 25 8.564 4.921 -15.032 1.00 1.51 H new ATOM 0 HZ3 LYS A 25 7.381 6.093 -14.702 1.00 1.51 H new ATOM 403 N THR A 26 11.713 5.270 -7.436 1.00 0.46 N ATOM 404 CA THR A 26 13.127 5.128 -6.983 1.00 0.44 C ATOM 405 C THR A 26 13.615 3.709 -7.282 1.00 0.32 C ATOM 406 O THR A 26 12.986 2.967 -8.010 1.00 0.23 O ATOM 407 CB THR A 26 13.209 5.391 -5.477 1.00 0.56 C ATOM 408 OG1 THR A 26 12.914 4.192 -4.773 1.00 0.67 O ATOM 409 CG2 THR A 26 12.201 6.474 -5.090 1.00 0.68 C ATOM 0 H THR A 26 11.008 5.015 -6.744 1.00 0.46 H new ATOM 0 HA THR A 26 13.754 5.847 -7.511 1.00 0.44 H new ATOM 0 HB THR A 26 14.214 5.726 -5.220 1.00 0.56 H new ATOM 0 HG1 THR A 26 12.350 4.398 -3.998 1.00 0.67 H new ATOM 0 HG21 THR A 26 12.261 6.660 -4.018 1.00 0.68 H new ATOM 0 HG22 THR A 26 12.428 7.393 -5.631 1.00 0.68 H new ATOM 0 HG23 THR A 26 11.195 6.142 -5.345 1.00 0.68 H new ATOM 417 N LEU A 27 14.730 3.324 -6.725 1.00 0.44 N ATOM 418 CA LEU A 27 15.253 1.952 -6.981 1.00 0.35 C ATOM 419 C LEU A 27 14.593 0.968 -6.013 1.00 0.39 C ATOM 420 O LEU A 27 14.778 -0.230 -6.106 1.00 0.40 O ATOM 421 CB LEU A 27 16.771 1.934 -6.780 1.00 0.39 C ATOM 422 CG LEU A 27 17.102 2.178 -5.307 1.00 0.49 C ATOM 423 CD1 LEU A 27 17.501 0.855 -4.649 1.00 0.64 C ATOM 424 CD2 LEU A 27 18.267 3.166 -5.207 1.00 0.33 C ATOM 0 H LEU A 27 15.301 3.899 -6.105 1.00 0.44 H new ATOM 0 HA LEU A 27 15.024 1.661 -8.006 1.00 0.35 H new ATOM 0 HB2 LEU A 27 17.178 0.975 -7.099 1.00 0.39 H new ATOM 0 HB3 LEU A 27 17.238 2.700 -7.399 1.00 0.39 H new ATOM 0 HG LEU A 27 16.229 2.588 -4.800 1.00 0.49 H new ATOM 0 HD11 LEU A 27 17.737 1.028 -3.599 1.00 0.64 H new ATOM 0 HD12 LEU A 27 16.675 0.148 -4.724 1.00 0.64 H new ATOM 0 HD13 LEU A 27 18.375 0.446 -5.155 1.00 0.64 H new ATOM 0 HD21 LEU A 27 18.506 3.342 -4.158 1.00 0.33 H new ATOM 0 HD22 LEU A 27 19.139 2.752 -5.713 1.00 0.33 H new ATOM 0 HD23 LEU A 27 17.987 4.108 -5.679 1.00 0.33 H new ATOM 436 N CYS A 28 13.824 1.464 -5.083 1.00 0.43 N ATOM 437 CA CYS A 28 13.152 0.558 -4.109 1.00 0.47 C ATOM 438 C CYS A 28 12.104 -0.286 -4.837 1.00 0.47 C ATOM 439 O CYS A 28 11.555 -1.220 -4.288 1.00 0.60 O ATOM 440 CB CYS A 28 12.468 1.395 -3.025 1.00 0.53 C ATOM 441 SG CYS A 28 13.004 0.822 -1.393 1.00 0.49 S ATOM 0 H CYS A 28 13.632 2.458 -4.955 1.00 0.43 H new ATOM 0 HA CYS A 28 13.892 -0.098 -3.651 1.00 0.47 H new ATOM 0 HB2 CYS A 28 12.717 2.448 -3.152 1.00 0.53 H new ATOM 0 HB3 CYS A 28 11.385 1.311 -3.114 1.00 0.53 H new ATOM 446 N THR A 29 11.822 0.035 -6.070 1.00 0.35 N ATOM 447 CA THR A 29 10.810 -0.750 -6.832 1.00 0.34 C ATOM 448 C THR A 29 11.397 -2.113 -7.204 1.00 0.37 C ATOM 449 O THR A 29 10.716 -3.119 -7.186 1.00 0.51 O ATOM 450 CB THR A 29 10.430 0.008 -8.106 1.00 0.38 C ATOM 451 OG1 THR A 29 11.595 0.230 -8.887 1.00 0.39 O ATOM 452 CG2 THR A 29 9.799 1.351 -7.734 1.00 0.38 C ATOM 0 H THR A 29 12.249 0.807 -6.583 1.00 0.35 H new ATOM 0 HA THR A 29 9.922 -0.893 -6.217 1.00 0.34 H new ATOM 0 HB THR A 29 9.714 -0.580 -8.680 1.00 0.38 H new ATOM 0 HG1 THR A 29 12.025 1.064 -8.603 1.00 0.39 H new ATOM 0 HG21 THR A 29 9.529 1.890 -8.642 1.00 0.38 H new ATOM 0 HG22 THR A 29 8.905 1.179 -7.134 1.00 0.38 H new ATOM 0 HG23 THR A 29 10.513 1.942 -7.160 1.00 0.38 H new ATOM 460 N GLU A 30 12.657 -2.154 -7.543 1.00 0.34 N ATOM 461 CA GLU A 30 13.286 -3.453 -7.917 1.00 0.35 C ATOM 462 C GLU A 30 13.122 -4.448 -6.766 1.00 0.33 C ATOM 463 O GLU A 30 13.471 -5.606 -6.881 1.00 0.34 O ATOM 464 CB GLU A 30 14.774 -3.236 -8.198 1.00 0.38 C ATOM 465 CG GLU A 30 14.939 -2.426 -9.485 1.00 0.05 C ATOM 466 CD GLU A 30 16.346 -1.827 -9.535 1.00 1.36 C ATOM 467 OE1 GLU A 30 17.295 -2.592 -9.541 1.00 1.91 O ATOM 468 OE2 GLU A 30 16.449 -0.611 -9.565 1.00 2.41 O ATOM 0 H GLU A 30 13.277 -1.345 -7.577 1.00 0.34 H new ATOM 0 HA GLU A 30 12.802 -3.849 -8.810 1.00 0.35 H new ATOM 0 HB2 GLU A 30 15.239 -2.711 -7.364 1.00 0.38 H new ATOM 0 HB3 GLU A 30 15.281 -4.196 -8.293 1.00 0.38 H new ATOM 0 HG2 GLU A 30 14.773 -3.064 -10.353 1.00 0.05 H new ATOM 0 HG3 GLU A 30 14.193 -1.632 -9.526 1.00 0.05 H new ATOM 475 N LEU A 31 12.596 -4.007 -5.657 1.00 0.30 N ATOM 476 CA LEU A 31 12.411 -4.928 -4.501 1.00 0.30 C ATOM 477 C LEU A 31 11.121 -5.729 -4.688 1.00 0.29 C ATOM 478 O LEU A 31 10.067 -5.176 -4.935 1.00 0.45 O ATOM 479 CB LEU A 31 12.324 -4.113 -3.208 1.00 0.24 C ATOM 480 CG LEU A 31 13.523 -3.167 -3.118 1.00 0.33 C ATOM 481 CD1 LEU A 31 13.439 -2.360 -1.821 1.00 0.26 C ATOM 482 CD2 LEU A 31 14.818 -3.984 -3.125 1.00 0.48 C ATOM 0 H LEU A 31 12.286 -3.048 -5.501 1.00 0.30 H new ATOM 0 HA LEU A 31 13.257 -5.612 -4.442 1.00 0.30 H new ATOM 0 HB2 LEU A 31 11.395 -3.543 -3.187 1.00 0.24 H new ATOM 0 HB3 LEU A 31 12.308 -4.780 -2.346 1.00 0.24 H new ATOM 0 HG LEU A 31 13.515 -2.488 -3.971 1.00 0.33 H new ATOM 0 HD11 LEU A 31 14.293 -1.686 -1.756 1.00 0.26 H new ATOM 0 HD12 LEU A 31 12.517 -1.779 -1.813 1.00 0.26 H new ATOM 0 HD13 LEU A 31 13.447 -3.039 -0.969 1.00 0.26 H new ATOM 0 HD21 LEU A 31 15.673 -3.311 -3.061 1.00 0.48 H new ATOM 0 HD22 LEU A 31 14.825 -4.662 -2.272 1.00 0.48 H new ATOM 0 HD23 LEU A 31 14.879 -4.561 -4.048 1.00 0.48 H new ATOM 494 N THR A 32 11.195 -7.026 -4.569 1.00 0.45 N ATOM 495 CA THR A 32 9.972 -7.860 -4.740 1.00 0.43 C ATOM 496 C THR A 32 9.239 -7.969 -3.401 1.00 0.41 C ATOM 497 O THR A 32 9.773 -8.466 -2.429 1.00 0.46 O ATOM 498 CB THR A 32 10.369 -9.257 -5.219 1.00 0.52 C ATOM 499 OG1 THR A 32 11.392 -9.771 -4.377 1.00 0.55 O ATOM 500 CG2 THR A 32 10.882 -9.178 -6.658 1.00 0.60 C ATOM 0 H THR A 32 12.049 -7.544 -4.361 1.00 0.45 H new ATOM 0 HA THR A 32 9.316 -7.397 -5.477 1.00 0.43 H new ATOM 0 HB THR A 32 9.501 -9.915 -5.181 1.00 0.52 H new ATOM 0 HG1 THR A 32 11.273 -9.424 -3.468 1.00 0.55 H new ATOM 0 HG21 THR A 32 11.165 -10.174 -6.999 1.00 0.60 H new ATOM 0 HG22 THR A 32 10.097 -8.783 -7.303 1.00 0.60 H new ATOM 0 HG23 THR A 32 11.750 -8.520 -6.699 1.00 0.60 H new ATOM 508 N VAL A 33 8.019 -7.510 -3.342 1.00 0.34 N ATOM 509 CA VAL A 33 7.254 -7.588 -2.067 1.00 0.31 C ATOM 510 C VAL A 33 6.504 -8.920 -2.002 1.00 0.29 C ATOM 511 O VAL A 33 6.612 -9.748 -2.885 1.00 0.28 O ATOM 512 CB VAL A 33 6.251 -6.435 -2.002 1.00 0.32 C ATOM 513 CG1 VAL A 33 6.878 -5.178 -2.607 1.00 0.53 C ATOM 514 CG2 VAL A 33 4.995 -6.808 -2.794 1.00 0.37 C ATOM 0 H VAL A 33 7.519 -7.084 -4.123 1.00 0.34 H new ATOM 0 HA VAL A 33 7.943 -7.518 -1.226 1.00 0.31 H new ATOM 0 HB VAL A 33 5.984 -6.244 -0.963 1.00 0.32 H new ATOM 0 HG11 VAL A 33 6.163 -4.356 -2.561 1.00 0.53 H new ATOM 0 HG12 VAL A 33 7.774 -4.912 -2.046 1.00 0.53 H new ATOM 0 HG13 VAL A 33 7.145 -5.369 -3.647 1.00 0.53 H new ATOM 0 HG21 VAL A 33 4.279 -5.987 -2.749 1.00 0.37 H new ATOM 0 HG22 VAL A 33 5.263 -6.998 -3.833 1.00 0.37 H new ATOM 0 HG23 VAL A 33 4.547 -7.704 -2.365 1.00 0.37 H new ATOM 524 N THR A 34 5.745 -9.134 -0.962 1.00 0.33 N ATOM 525 CA THR A 34 4.989 -10.413 -0.842 1.00 0.31 C ATOM 526 C THR A 34 3.597 -10.242 -1.457 1.00 0.31 C ATOM 527 O THR A 34 2.757 -9.543 -0.928 1.00 0.43 O ATOM 528 CB THR A 34 4.852 -10.788 0.636 1.00 0.29 C ATOM 529 OG1 THR A 34 6.143 -10.987 1.193 1.00 0.25 O ATOM 530 CG2 THR A 34 4.034 -12.074 0.763 1.00 0.27 C ATOM 0 H THR A 34 5.616 -8.479 -0.191 1.00 0.33 H new ATOM 0 HA THR A 34 5.524 -11.203 -1.369 1.00 0.31 H new ATOM 0 HB THR A 34 4.346 -9.985 1.171 1.00 0.29 H new ATOM 0 HG1 THR A 34 6.058 -11.225 2.140 1.00 0.25 H new ATOM 0 HG21 THR A 34 3.937 -12.341 1.815 1.00 0.27 H new ATOM 0 HG22 THR A 34 3.044 -11.919 0.335 1.00 0.27 H new ATOM 0 HG23 THR A 34 4.538 -12.880 0.230 1.00 0.27 H new ATOM 538 N ASP A 35 3.348 -10.876 -2.569 1.00 0.43 N ATOM 539 CA ASP A 35 2.012 -10.750 -3.216 1.00 0.42 C ATOM 540 C ASP A 35 0.958 -11.438 -2.347 1.00 0.51 C ATOM 541 O ASP A 35 1.013 -12.631 -2.115 1.00 1.19 O ATOM 542 CB ASP A 35 2.048 -11.411 -4.595 1.00 0.59 C ATOM 543 CG ASP A 35 0.802 -11.011 -5.387 1.00 0.57 C ATOM 544 OD1 ASP A 35 -0.064 -10.372 -4.809 1.00 1.12 O ATOM 545 OD2 ASP A 35 0.733 -11.348 -6.556 1.00 1.44 O ATOM 0 H ASP A 35 4.012 -11.476 -3.058 1.00 0.43 H new ATOM 0 HA ASP A 35 1.760 -9.695 -3.326 1.00 0.42 H new ATOM 0 HB2 ASP A 35 2.946 -11.107 -5.132 1.00 0.59 H new ATOM 0 HB3 ASP A 35 2.092 -12.495 -4.489 1.00 0.59 H new ATOM 550 N ILE A 36 -0.003 -10.699 -1.864 1.00 0.19 N ATOM 551 CA ILE A 36 -1.058 -11.312 -1.010 1.00 0.14 C ATOM 552 C ILE A 36 -2.243 -11.729 -1.885 1.00 0.16 C ATOM 553 O ILE A 36 -3.089 -12.498 -1.476 1.00 0.17 O ATOM 554 CB ILE A 36 -1.527 -10.295 0.031 1.00 0.30 C ATOM 555 CG1 ILE A 36 -1.839 -8.966 -0.660 1.00 0.52 C ATOM 556 CG2 ILE A 36 -0.424 -10.081 1.069 1.00 0.68 C ATOM 557 CD1 ILE A 36 -2.595 -8.053 0.308 1.00 0.70 C ATOM 0 H ILE A 36 -0.103 -9.697 -2.024 1.00 0.19 H new ATOM 0 HA ILE A 36 -0.652 -12.188 -0.504 1.00 0.14 H new ATOM 0 HB ILE A 36 -2.424 -10.669 0.525 1.00 0.30 H new ATOM 0 HG12 ILE A 36 -0.915 -8.486 -0.983 1.00 0.52 H new ATOM 0 HG13 ILE A 36 -2.437 -9.140 -1.554 1.00 0.52 H new ATOM 0 HG21 ILE A 36 -0.758 -9.356 1.811 1.00 0.68 H new ATOM 0 HG22 ILE A 36 -0.199 -11.027 1.562 1.00 0.68 H new ATOM 0 HG23 ILE A 36 0.473 -9.707 0.575 1.00 0.68 H new ATOM 0 HD11 ILE A 36 -2.818 -7.106 -0.184 1.00 0.70 H new ATOM 0 HD12 ILE A 36 -3.526 -8.533 0.609 1.00 0.70 H new ATOM 0 HD13 ILE A 36 -1.981 -7.869 1.189 1.00 0.70 H new ATOM 569 N PHE A 37 -2.310 -11.226 -3.088 1.00 0.25 N ATOM 570 CA PHE A 37 -3.440 -11.593 -3.986 1.00 0.31 C ATOM 571 C PHE A 37 -3.132 -12.925 -4.674 1.00 0.34 C ATOM 572 O PHE A 37 -4.023 -13.669 -5.033 1.00 0.15 O ATOM 573 CB PHE A 37 -3.625 -10.503 -5.045 1.00 0.39 C ATOM 574 CG PHE A 37 -3.823 -9.169 -4.366 1.00 0.27 C ATOM 575 CD1 PHE A 37 -5.065 -8.848 -3.804 1.00 0.19 C ATOM 576 CD2 PHE A 37 -2.767 -8.253 -4.298 1.00 0.38 C ATOM 577 CE1 PHE A 37 -5.249 -7.611 -3.174 1.00 0.11 C ATOM 578 CE2 PHE A 37 -2.951 -7.018 -3.668 1.00 0.40 C ATOM 579 CZ PHE A 37 -4.193 -6.697 -3.106 1.00 0.25 C ATOM 0 H PHE A 37 -1.631 -10.577 -3.487 1.00 0.25 H new ATOM 0 HA PHE A 37 -4.354 -11.689 -3.400 1.00 0.31 H new ATOM 0 HB2 PHE A 37 -2.753 -10.465 -5.699 1.00 0.39 H new ATOM 0 HB3 PHE A 37 -4.485 -10.734 -5.674 1.00 0.39 H new ATOM 0 HD1 PHE A 37 -5.880 -9.554 -3.856 1.00 0.19 H new ATOM 0 HD2 PHE A 37 -1.809 -8.500 -4.732 1.00 0.38 H new ATOM 0 HE1 PHE A 37 -6.207 -7.363 -2.741 1.00 0.11 H new ATOM 0 HE2 PHE A 37 -2.135 -6.312 -3.615 1.00 0.40 H new ATOM 0 HZ PHE A 37 -4.335 -5.743 -2.620 1.00 0.25 H new ATOM 589 N ALA A 38 -1.877 -13.231 -4.859 1.00 0.69 N ATOM 590 CA ALA A 38 -1.515 -14.515 -5.522 1.00 0.78 C ATOM 591 C ALA A 38 -1.972 -15.686 -4.650 1.00 0.79 C ATOM 592 O ALA A 38 -1.851 -16.835 -5.024 1.00 0.94 O ATOM 593 CB ALA A 38 0.002 -14.581 -5.710 1.00 0.83 C ATOM 0 H ALA A 38 -1.088 -12.648 -4.580 1.00 0.69 H new ATOM 0 HA ALA A 38 -2.005 -14.573 -6.494 1.00 0.78 H new ATOM 0 HB1 ALA A 38 0.268 -15.520 -6.195 1.00 0.83 H new ATOM 0 HB2 ALA A 38 0.328 -13.747 -6.331 1.00 0.83 H new ATOM 0 HB3 ALA A 38 0.492 -14.523 -4.738 1.00 0.83 H new ATOM 599 N ALA A 39 -2.496 -15.403 -3.489 1.00 0.75 N ATOM 600 CA ALA A 39 -2.961 -16.501 -2.594 1.00 0.77 C ATOM 601 C ALA A 39 -4.076 -15.980 -1.686 1.00 0.80 C ATOM 602 O ALA A 39 -3.828 -15.486 -0.604 1.00 1.48 O ATOM 603 CB ALA A 39 -1.791 -16.991 -1.738 1.00 0.97 C ATOM 0 H ALA A 39 -2.622 -14.460 -3.121 1.00 0.75 H new ATOM 0 HA ALA A 39 -3.340 -17.326 -3.197 1.00 0.77 H new ATOM 0 HB1 ALA A 39 -2.130 -17.794 -1.083 1.00 0.97 H new ATOM 0 HB2 ALA A 39 -0.997 -17.362 -2.386 1.00 0.97 H new ATOM 0 HB3 ALA A 39 -1.411 -16.167 -1.134 1.00 0.97 H new ATOM 609 N SER A 40 -5.303 -16.086 -2.118 1.00 0.46 N ATOM 610 CA SER A 40 -6.434 -15.597 -1.279 1.00 0.57 C ATOM 611 C SER A 40 -7.656 -16.490 -1.501 1.00 0.39 C ATOM 612 O SER A 40 -8.349 -16.372 -2.491 1.00 0.24 O ATOM 613 CB SER A 40 -6.775 -14.159 -1.672 1.00 0.70 C ATOM 614 OG SER A 40 -8.034 -13.806 -1.113 1.00 0.85 O ATOM 0 H SER A 40 -5.571 -16.490 -3.015 1.00 0.46 H new ATOM 0 HA SER A 40 -6.147 -15.628 -0.228 1.00 0.57 H new ATOM 0 HB2 SER A 40 -6.002 -13.479 -1.315 1.00 0.70 H new ATOM 0 HB3 SER A 40 -6.806 -14.064 -2.757 1.00 0.70 H new ATOM 0 HG SER A 40 -8.255 -12.884 -1.361 1.00 0.85 H new ATOM 620 N LYS A 41 -7.921 -17.384 -0.583 1.00 0.54 N ATOM 621 CA LYS A 41 -9.096 -18.293 -0.729 1.00 0.38 C ATOM 622 C LYS A 41 -9.819 -18.407 0.615 1.00 1.14 C ATOM 623 O LYS A 41 -11.028 -18.313 0.690 1.00 1.52 O ATOM 624 CB LYS A 41 -8.618 -19.679 -1.167 1.00 0.71 C ATOM 625 CG LYS A 41 -8.344 -19.676 -2.673 1.00 1.55 C ATOM 626 CD LYS A 41 -7.102 -20.520 -2.968 1.00 1.98 C ATOM 627 CE LYS A 41 -6.848 -20.543 -4.477 1.00 3.36 C ATOM 628 NZ LYS A 41 -6.216 -19.260 -4.894 1.00 4.05 N ATOM 0 H LYS A 41 -7.371 -17.523 0.265 1.00 0.54 H new ATOM 0 HA LYS A 41 -9.777 -17.890 -1.478 1.00 0.38 H new ATOM 0 HB2 LYS A 41 -7.713 -19.951 -0.623 1.00 0.71 H new ATOM 0 HB3 LYS A 41 -9.372 -20.428 -0.926 1.00 0.71 H new ATOM 0 HG2 LYS A 41 -9.204 -20.075 -3.211 1.00 1.55 H new ATOM 0 HG3 LYS A 41 -8.195 -18.655 -3.024 1.00 1.55 H new ATOM 0 HD2 LYS A 41 -6.237 -20.107 -2.449 1.00 1.98 H new ATOM 0 HD3 LYS A 41 -7.242 -21.535 -2.596 1.00 1.98 H new ATOM 0 HE2 LYS A 41 -6.200 -21.381 -4.735 1.00 3.36 H new ATOM 0 HE3 LYS A 41 -7.786 -20.689 -5.012 1.00 3.36 H new ATOM 0 HZ1 LYS A 41 -6.655 -18.927 -5.776 1.00 4.05 H new ATOM 0 HZ2 LYS A 41 -6.352 -18.547 -4.149 1.00 4.05 H new ATOM 0 HZ3 LYS A 41 -5.198 -19.409 -5.049 1.00 4.05 H new ATOM 642 N ASP A 42 -9.087 -18.608 1.676 1.00 1.59 N ATOM 643 CA ASP A 42 -9.730 -18.726 3.015 1.00 2.31 C ATOM 644 C ASP A 42 -9.748 -17.356 3.694 1.00 2.11 C ATOM 645 O ASP A 42 -9.680 -17.250 4.902 1.00 2.96 O ATOM 646 CB ASP A 42 -8.936 -19.712 3.877 1.00 2.98 C ATOM 647 CG ASP A 42 -8.373 -20.825 2.992 1.00 3.42 C ATOM 648 OD1 ASP A 42 -7.358 -20.593 2.357 1.00 4.08 O ATOM 649 OD2 ASP A 42 -8.966 -21.891 2.965 1.00 3.58 O ATOM 0 H ASP A 42 -8.071 -18.696 1.674 1.00 1.59 H new ATOM 0 HA ASP A 42 -10.752 -19.087 2.897 1.00 2.31 H new ATOM 0 HB2 ASP A 42 -8.125 -19.193 4.388 1.00 2.98 H new ATOM 0 HB3 ASP A 42 -9.579 -20.136 4.648 1.00 2.98 H new ATOM 654 N THR A 43 -9.840 -16.305 2.924 1.00 1.04 N ATOM 655 CA THR A 43 -9.863 -14.940 3.523 1.00 0.84 C ATOM 656 C THR A 43 -10.769 -14.033 2.688 1.00 0.84 C ATOM 657 O THR A 43 -10.838 -14.149 1.481 1.00 1.06 O ATOM 658 CB THR A 43 -8.443 -14.368 3.539 1.00 0.95 C ATOM 659 OG1 THR A 43 -7.732 -14.839 2.404 1.00 1.53 O ATOM 660 CG2 THR A 43 -7.726 -14.813 4.815 1.00 1.41 C ATOM 0 H THR A 43 -9.900 -16.333 1.906 1.00 1.04 H new ATOM 0 HA THR A 43 -10.245 -14.995 4.543 1.00 0.84 H new ATOM 0 HB THR A 43 -8.489 -13.279 3.513 1.00 0.95 H new ATOM 0 HG1 THR A 43 -6.769 -14.751 2.562 1.00 1.53 H new ATOM 0 HG21 THR A 43 -6.715 -14.405 4.825 1.00 1.41 H new ATOM 0 HG22 THR A 43 -8.273 -14.450 5.685 1.00 1.41 H new ATOM 0 HG23 THR A 43 -7.678 -15.902 4.845 1.00 1.41 H new ATOM 668 N THR A 44 -11.465 -13.129 3.322 1.00 0.68 N ATOM 669 CA THR A 44 -12.366 -12.216 2.564 1.00 0.81 C ATOM 670 C THR A 44 -11.611 -10.934 2.206 1.00 0.85 C ATOM 671 O THR A 44 -10.454 -10.967 1.834 1.00 1.15 O ATOM 672 CB THR A 44 -13.582 -11.867 3.427 1.00 0.73 C ATOM 673 OG1 THR A 44 -14.497 -11.093 2.662 1.00 2.33 O ATOM 674 CG2 THR A 44 -13.130 -11.067 4.650 1.00 1.77 C ATOM 0 H THR A 44 -11.448 -12.984 4.331 1.00 0.68 H new ATOM 0 HA THR A 44 -12.697 -12.710 1.650 1.00 0.81 H new ATOM 0 HB THR A 44 -14.069 -12.784 3.757 1.00 0.73 H new ATOM 0 HG1 THR A 44 -15.277 -10.870 3.212 1.00 2.33 H new ATOM 0 HG21 THR A 44 -13.996 -10.819 5.263 1.00 1.77 H new ATOM 0 HG22 THR A 44 -12.429 -11.662 5.235 1.00 1.77 H new ATOM 0 HG23 THR A 44 -12.642 -10.149 4.324 1.00 1.77 H new ATOM 682 N GLU A 45 -12.254 -9.804 2.315 1.00 0.75 N ATOM 683 CA GLU A 45 -11.572 -8.523 1.981 1.00 0.74 C ATOM 684 C GLU A 45 -10.948 -7.931 3.246 1.00 0.62 C ATOM 685 O GLU A 45 -9.851 -7.410 3.223 1.00 0.69 O ATOM 686 CB GLU A 45 -12.592 -7.537 1.406 1.00 0.78 C ATOM 687 CG GLU A 45 -13.681 -8.307 0.656 1.00 0.86 C ATOM 688 CD GLU A 45 -14.589 -7.321 -0.081 1.00 0.60 C ATOM 689 OE1 GLU A 45 -14.087 -6.304 -0.528 1.00 1.59 O ATOM 690 OE2 GLU A 45 -15.772 -7.600 -0.185 1.00 0.99 O ATOM 0 H GLU A 45 -13.223 -9.713 2.621 1.00 0.75 H new ATOM 0 HA GLU A 45 -10.791 -8.709 1.244 1.00 0.74 H new ATOM 0 HB2 GLU A 45 -13.036 -6.948 2.208 1.00 0.78 H new ATOM 0 HB3 GLU A 45 -12.097 -6.837 0.732 1.00 0.78 H new ATOM 0 HG2 GLU A 45 -13.228 -9.000 -0.053 1.00 0.86 H new ATOM 0 HG3 GLU A 45 -14.266 -8.904 1.356 1.00 0.86 H new ATOM 697 N LYS A 46 -11.638 -8.008 4.352 1.00 0.44 N ATOM 698 CA LYS A 46 -11.083 -7.450 5.617 1.00 0.33 C ATOM 699 C LYS A 46 -9.651 -7.953 5.811 1.00 0.29 C ATOM 700 O LYS A 46 -8.737 -7.183 6.029 1.00 0.34 O ATOM 701 CB LYS A 46 -11.948 -7.905 6.797 1.00 0.32 C ATOM 702 CG LYS A 46 -13.138 -6.952 6.967 1.00 0.30 C ATOM 703 CD LYS A 46 -12.661 -5.586 7.480 1.00 0.80 C ATOM 704 CE LYS A 46 -13.445 -5.215 8.740 1.00 1.07 C ATOM 705 NZ LYS A 46 -13.075 -6.143 9.847 1.00 2.38 N ATOM 0 H LYS A 46 -12.562 -8.433 4.433 1.00 0.44 H new ATOM 0 HA LYS A 46 -11.082 -6.361 5.565 1.00 0.33 H new ATOM 0 HB2 LYS A 46 -12.305 -8.921 6.628 1.00 0.32 H new ATOM 0 HB3 LYS A 46 -11.353 -7.925 7.710 1.00 0.32 H new ATOM 0 HG2 LYS A 46 -13.653 -6.830 6.014 1.00 0.30 H new ATOM 0 HG3 LYS A 46 -13.857 -7.379 7.666 1.00 0.30 H new ATOM 0 HD2 LYS A 46 -11.594 -5.620 7.699 1.00 0.80 H new ATOM 0 HD3 LYS A 46 -12.805 -4.826 6.712 1.00 0.80 H new ATOM 0 HE2 LYS A 46 -13.228 -4.186 9.026 1.00 1.07 H new ATOM 0 HE3 LYS A 46 -14.516 -5.273 8.545 1.00 1.07 H new ATOM 0 HZ1 LYS A 46 -13.915 -6.676 10.148 1.00 2.38 H new ATOM 0 HZ2 LYS A 46 -12.345 -6.805 9.515 1.00 2.38 H new ATOM 0 HZ3 LYS A 46 -12.706 -5.595 10.650 1.00 2.38 H new ATOM 719 N GLU A 47 -9.449 -9.239 5.732 1.00 0.29 N ATOM 720 CA GLU A 47 -8.076 -9.791 5.913 1.00 0.30 C ATOM 721 C GLU A 47 -7.182 -9.320 4.764 1.00 0.32 C ATOM 722 O GLU A 47 -5.985 -9.177 4.915 1.00 0.40 O ATOM 723 CB GLU A 47 -8.136 -11.319 5.920 1.00 0.39 C ATOM 724 CG GLU A 47 -8.599 -11.805 7.295 1.00 0.48 C ATOM 725 CD GLU A 47 -7.423 -11.771 8.272 1.00 1.79 C ATOM 726 OE1 GLU A 47 -6.338 -12.169 7.878 1.00 2.66 O ATOM 727 OE2 GLU A 47 -7.625 -11.346 9.397 1.00 2.21 O ATOM 0 H GLU A 47 -10.175 -9.932 5.550 1.00 0.29 H new ATOM 0 HA GLU A 47 -7.666 -9.441 6.860 1.00 0.30 H new ATOM 0 HB2 GLU A 47 -8.821 -11.670 5.149 1.00 0.39 H new ATOM 0 HB3 GLU A 47 -7.155 -11.733 5.687 1.00 0.39 H new ATOM 0 HG2 GLU A 47 -9.408 -11.174 7.662 1.00 0.48 H new ATOM 0 HG3 GLU A 47 -8.994 -12.818 7.220 1.00 0.48 H new ATOM 734 N THR A 48 -7.752 -9.079 3.615 1.00 0.39 N ATOM 735 CA THR A 48 -6.933 -8.619 2.458 1.00 0.39 C ATOM 736 C THR A 48 -6.300 -7.266 2.788 1.00 0.33 C ATOM 737 O THR A 48 -5.094 -7.118 2.793 1.00 0.44 O ATOM 738 CB THR A 48 -7.827 -8.478 1.223 1.00 0.44 C ATOM 739 OG1 THR A 48 -8.636 -9.638 1.093 1.00 0.56 O ATOM 740 CG2 THR A 48 -6.956 -8.318 -0.023 1.00 0.44 C ATOM 0 H THR A 48 -8.749 -9.181 3.428 1.00 0.39 H new ATOM 0 HA THR A 48 -6.148 -9.348 2.256 1.00 0.39 H new ATOM 0 HB THR A 48 -8.464 -7.600 1.332 1.00 0.44 H new ATOM 0 HG1 THR A 48 -9.243 -9.701 1.860 1.00 0.56 H new ATOM 0 HG21 THR A 48 -7.593 -8.218 -0.902 1.00 0.44 H new ATOM 0 HG22 THR A 48 -6.335 -7.428 0.079 1.00 0.44 H new ATOM 0 HG23 THR A 48 -6.318 -9.194 -0.136 1.00 0.44 H new ATOM 748 N PHE A 49 -7.104 -6.276 3.064 1.00 0.21 N ATOM 749 CA PHE A 49 -6.547 -4.934 3.394 1.00 0.15 C ATOM 750 C PHE A 49 -5.533 -5.069 4.531 1.00 0.08 C ATOM 751 O PHE A 49 -4.510 -4.412 4.545 1.00 0.11 O ATOM 752 CB PHE A 49 -7.681 -4.004 3.830 1.00 0.21 C ATOM 753 CG PHE A 49 -8.720 -3.929 2.737 1.00 0.32 C ATOM 754 CD1 PHE A 49 -8.432 -3.256 1.543 1.00 0.31 C ATOM 755 CD2 PHE A 49 -9.971 -4.532 2.916 1.00 0.46 C ATOM 756 CE1 PHE A 49 -9.395 -3.187 0.528 1.00 0.42 C ATOM 757 CE2 PHE A 49 -10.934 -4.463 1.901 1.00 0.57 C ATOM 758 CZ PHE A 49 -10.646 -3.790 0.708 1.00 0.55 C ATOM 0 H PHE A 49 -8.122 -6.338 3.075 1.00 0.21 H new ATOM 0 HA PHE A 49 -6.054 -4.519 2.515 1.00 0.15 H new ATOM 0 HB2 PHE A 49 -8.133 -4.372 4.751 1.00 0.21 H new ATOM 0 HB3 PHE A 49 -7.289 -3.009 4.042 1.00 0.21 H new ATOM 0 HD1 PHE A 49 -7.467 -2.790 1.405 1.00 0.31 H new ATOM 0 HD2 PHE A 49 -10.194 -5.050 3.837 1.00 0.46 H new ATOM 0 HE1 PHE A 49 -9.173 -2.669 -0.393 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -11.898 -4.929 2.039 1.00 0.57 H new ATOM 0 HZ PHE A 49 -11.389 -3.736 -0.074 1.00 0.55 H new ATOM 768 N CYS A 50 -5.806 -5.916 5.485 1.00 0.11 N ATOM 769 CA CYS A 50 -4.857 -6.092 6.620 1.00 0.17 C ATOM 770 C CYS A 50 -3.543 -6.679 6.101 1.00 0.22 C ATOM 771 O CYS A 50 -2.489 -6.092 6.245 1.00 0.25 O ATOM 772 CB CYS A 50 -5.467 -7.042 7.653 1.00 0.24 C ATOM 773 SG CYS A 50 -4.155 -7.704 8.711 1.00 0.41 S ATOM 0 H CYS A 50 -6.645 -6.494 5.528 1.00 0.11 H new ATOM 0 HA CYS A 50 -4.664 -5.125 7.085 1.00 0.17 H new ATOM 0 HB2 CYS A 50 -6.205 -6.514 8.257 1.00 0.24 H new ATOM 0 HB3 CYS A 50 -5.990 -7.856 7.151 1.00 0.24 H new ATOM 778 N ARG A 51 -3.597 -7.835 5.497 1.00 0.23 N ATOM 779 CA ARG A 51 -2.351 -8.458 4.968 1.00 0.29 C ATOM 780 C ARG A 51 -1.583 -7.433 4.132 1.00 0.27 C ATOM 781 O ARG A 51 -0.385 -7.281 4.265 1.00 0.35 O ATOM 782 CB ARG A 51 -2.713 -9.661 4.094 1.00 0.32 C ATOM 783 CG ARG A 51 -3.266 -10.784 4.974 1.00 0.36 C ATOM 784 CD ARG A 51 -3.779 -11.921 4.087 1.00 0.30 C ATOM 785 NE ARG A 51 -5.000 -11.471 3.360 1.00 1.96 N ATOM 786 CZ ARG A 51 -5.437 -12.152 2.337 1.00 2.34 C ATOM 787 NH1 ARG A 51 -4.806 -13.228 1.951 1.00 1.22 N ATOM 788 NH2 ARG A 51 -6.506 -11.759 1.699 1.00 3.97 N ATOM 0 H ARG A 51 -4.450 -8.374 5.347 1.00 0.23 H new ATOM 0 HA ARG A 51 -1.729 -8.788 5.800 1.00 0.29 H new ATOM 0 HB2 ARG A 51 -3.453 -9.372 3.347 1.00 0.32 H new ATOM 0 HB3 ARG A 51 -1.833 -10.009 3.553 1.00 0.32 H new ATOM 0 HG2 ARG A 51 -2.488 -11.153 5.643 1.00 0.36 H new ATOM 0 HG3 ARG A 51 -4.073 -10.405 5.601 1.00 0.36 H new ATOM 0 HD2 ARG A 51 -3.008 -12.218 3.376 1.00 0.30 H new ATOM 0 HD3 ARG A 51 -4.007 -12.797 4.695 1.00 0.30 H new ATOM 0 HE ARG A 51 -5.493 -10.631 3.662 1.00 1.96 H new ATOM 0 HH11 ARG A 51 -3.971 -13.536 2.450 1.00 1.22 H new ATOM 0 HH12 ARG A 51 -5.148 -13.760 1.151 1.00 1.22 H new ATOM 0 HH21 ARG A 51 -7.000 -10.919 2.000 1.00 3.97 H new ATOM 0 HH22 ARG A 51 -6.847 -12.292 0.899 1.00 3.97 H new ATOM 802 N ALA A 52 -2.264 -6.726 3.272 1.00 0.20 N ATOM 803 CA ALA A 52 -1.572 -5.710 2.429 1.00 0.21 C ATOM 804 C ALA A 52 -0.733 -4.794 3.321 1.00 0.23 C ATOM 805 O ALA A 52 0.418 -4.524 3.042 1.00 0.26 O ATOM 806 CB ALA A 52 -2.613 -4.876 1.678 1.00 0.20 C ATOM 0 H ALA A 52 -3.269 -6.808 3.117 1.00 0.20 H new ATOM 0 HA ALA A 52 -0.923 -6.213 1.712 1.00 0.21 H new ATOM 0 HB1 ALA A 52 -2.108 -4.133 1.061 1.00 0.20 H new ATOM 0 HB2 ALA A 52 -3.212 -5.528 1.042 1.00 0.20 H new ATOM 0 HB3 ALA A 52 -3.262 -4.372 2.395 1.00 0.20 H new ATOM 812 N ALA A 53 -1.299 -4.313 4.395 1.00 0.23 N ATOM 813 CA ALA A 53 -0.533 -3.415 5.303 1.00 0.26 C ATOM 814 C ALA A 53 0.681 -4.165 5.856 1.00 0.26 C ATOM 815 O ALA A 53 1.774 -3.637 5.917 1.00 0.27 O ATOM 816 CB ALA A 53 -1.430 -2.974 6.460 1.00 0.31 C ATOM 0 H ALA A 53 -2.259 -4.504 4.682 1.00 0.23 H new ATOM 0 HA ALA A 53 -0.198 -2.538 4.749 1.00 0.26 H new ATOM 0 HB1 ALA A 53 -0.870 -2.317 7.125 1.00 0.31 H new ATOM 0 HB2 ALA A 53 -2.295 -2.440 6.067 1.00 0.31 H new ATOM 0 HB3 ALA A 53 -1.766 -3.850 7.015 1.00 0.31 H new ATOM 822 N THR A 54 0.499 -5.393 6.259 1.00 0.26 N ATOM 823 CA THR A 54 1.644 -6.174 6.808 1.00 0.28 C ATOM 824 C THR A 54 2.838 -6.061 5.859 1.00 0.26 C ATOM 825 O THR A 54 3.966 -5.906 6.281 1.00 0.34 O ATOM 826 CB THR A 54 1.239 -7.644 6.945 1.00 0.27 C ATOM 827 OG1 THR A 54 0.021 -7.732 7.671 1.00 0.29 O ATOM 828 CG2 THR A 54 2.335 -8.410 7.687 1.00 0.31 C ATOM 0 H THR A 54 -0.392 -5.889 6.232 1.00 0.26 H new ATOM 0 HA THR A 54 1.918 -5.780 7.786 1.00 0.28 H new ATOM 0 HB THR A 54 1.104 -8.078 5.954 1.00 0.27 H new ATOM 0 HG1 THR A 54 -0.241 -8.672 7.758 1.00 0.29 H new ATOM 0 HG21 THR A 54 2.046 -9.456 7.784 1.00 0.31 H new ATOM 0 HG22 THR A 54 3.268 -8.342 7.128 1.00 0.31 H new ATOM 0 HG23 THR A 54 2.473 -7.978 8.678 1.00 0.31 H new ATOM 836 N VAL A 55 2.598 -6.135 4.578 1.00 0.17 N ATOM 837 CA VAL A 55 3.721 -6.032 3.603 1.00 0.15 C ATOM 838 C VAL A 55 4.259 -4.599 3.596 1.00 0.14 C ATOM 839 O VAL A 55 5.398 -4.352 3.944 1.00 0.13 O ATOM 840 CB VAL A 55 3.216 -6.393 2.205 1.00 0.14 C ATOM 841 CG1 VAL A 55 4.379 -6.338 1.212 1.00 0.17 C ATOM 842 CG2 VAL A 55 2.630 -7.806 2.225 1.00 0.12 C ATOM 0 H VAL A 55 1.674 -6.262 4.165 1.00 0.17 H new ATOM 0 HA VAL A 55 4.517 -6.719 3.891 1.00 0.15 H new ATOM 0 HB VAL A 55 2.446 -5.683 1.902 1.00 0.14 H new ATOM 0 HG11 VAL A 55 4.019 -6.595 0.216 1.00 0.17 H new ATOM 0 HG12 VAL A 55 4.798 -5.332 1.198 1.00 0.17 H new ATOM 0 HG13 VAL A 55 5.149 -7.048 1.514 1.00 0.17 H new ATOM 0 HG21 VAL A 55 2.270 -8.065 1.229 1.00 0.12 H new ATOM 0 HG22 VAL A 55 3.400 -8.515 2.528 1.00 0.12 H new ATOM 0 HG23 VAL A 55 1.802 -7.846 2.932 1.00 0.12 H new ATOM 852 N LEU A 56 3.450 -3.654 3.204 1.00 0.16 N ATOM 853 CA LEU A 56 3.916 -2.238 3.177 1.00 0.17 C ATOM 854 C LEU A 56 4.616 -1.909 4.497 1.00 0.16 C ATOM 855 O LEU A 56 5.509 -1.088 4.549 1.00 0.17 O ATOM 856 CB LEU A 56 2.717 -1.305 2.989 1.00 0.19 C ATOM 857 CG LEU A 56 1.899 -1.755 1.776 1.00 0.27 C ATOM 858 CD1 LEU A 56 0.722 -0.799 1.571 1.00 0.22 C ATOM 859 CD2 LEU A 56 2.786 -1.742 0.528 1.00 0.54 C ATOM 0 H LEU A 56 2.487 -3.800 2.901 1.00 0.16 H new ATOM 0 HA LEU A 56 4.612 -2.101 2.350 1.00 0.17 H new ATOM 0 HB2 LEU A 56 2.094 -1.313 3.883 1.00 0.19 H new ATOM 0 HB3 LEU A 56 3.060 -0.280 2.849 1.00 0.19 H new ATOM 0 HG LEU A 56 1.524 -2.764 1.946 1.00 0.27 H new ATOM 0 HD11 LEU A 56 0.139 -1.119 0.707 1.00 0.22 H new ATOM 0 HD12 LEU A 56 0.089 -0.806 2.458 1.00 0.22 H new ATOM 0 HD13 LEU A 56 1.098 0.210 1.401 1.00 0.22 H new ATOM 0 HD21 LEU A 56 2.203 -2.062 -0.336 1.00 0.54 H new ATOM 0 HD22 LEU A 56 3.161 -0.733 0.359 1.00 0.54 H new ATOM 0 HD23 LEU A 56 3.626 -2.422 0.672 1.00 0.54 H new ATOM 871 N ARG A 57 4.217 -2.543 5.565 1.00 0.17 N ATOM 872 CA ARG A 57 4.863 -2.266 6.878 1.00 0.17 C ATOM 873 C ARG A 57 6.329 -2.696 6.825 1.00 0.17 C ATOM 874 O ARG A 57 7.228 -1.886 6.927 1.00 0.17 O ATOM 875 CB ARG A 57 4.140 -3.048 7.977 1.00 0.16 C ATOM 876 CG ARG A 57 4.769 -2.723 9.333 1.00 0.74 C ATOM 877 CD ARG A 57 5.415 -3.983 9.912 1.00 2.09 C ATOM 878 NE ARG A 57 6.021 -3.667 11.236 1.00 2.45 N ATOM 879 CZ ARG A 57 6.361 -4.632 12.045 1.00 3.36 C ATOM 880 NH1 ARG A 57 6.170 -5.875 11.695 1.00 4.00 N ATOM 881 NH2 ARG A 57 6.892 -4.355 13.204 1.00 3.79 N ATOM 0 H ARG A 57 3.473 -3.240 5.585 1.00 0.17 H new ATOM 0 HA ARG A 57 4.805 -1.199 7.094 1.00 0.17 H new ATOM 0 HB2 ARG A 57 3.081 -2.791 7.984 1.00 0.16 H new ATOM 0 HB3 ARG A 57 4.207 -4.118 7.780 1.00 0.16 H new ATOM 0 HG2 ARG A 57 5.516 -1.938 9.220 1.00 0.74 H new ATOM 0 HG3 ARG A 57 4.009 -2.344 10.017 1.00 0.74 H new ATOM 0 HD2 ARG A 57 4.669 -4.770 10.020 1.00 2.09 H new ATOM 0 HD3 ARG A 57 6.179 -4.359 9.231 1.00 2.09 H new ATOM 0 HE ARG A 57 6.170 -2.696 11.510 1.00 2.45 H new ATOM 0 HH11 ARG A 57 5.755 -6.092 10.789 1.00 4.00 H new ATOM 0 HH12 ARG A 57 6.436 -6.630 12.328 1.00 4.00 H new ATOM 0 HH21 ARG A 57 7.041 -3.384 13.478 1.00 3.79 H new ATOM 0 HH22 ARG A 57 7.158 -5.110 13.837 1.00 3.79 H new ATOM 895 N GLN A 58 6.579 -3.967 6.667 1.00 0.16 N ATOM 896 CA GLN A 58 7.987 -4.450 6.607 1.00 0.17 C ATOM 897 C GLN A 58 8.681 -3.864 5.376 1.00 0.17 C ATOM 898 O GLN A 58 9.850 -4.095 5.143 1.00 0.18 O ATOM 899 CB GLN A 58 7.999 -5.978 6.519 1.00 0.16 C ATOM 900 CG GLN A 58 7.162 -6.426 5.318 1.00 0.10 C ATOM 901 CD GLN A 58 7.115 -7.953 5.269 1.00 0.51 C ATOM 902 OE1 GLN A 58 7.698 -8.564 4.396 1.00 0.84 O ATOM 903 NE2 GLN A 58 6.438 -8.603 6.178 1.00 1.87 N ATOM 0 H GLN A 58 5.868 -4.693 6.577 1.00 0.16 H new ATOM 0 HA GLN A 58 8.516 -4.132 7.506 1.00 0.17 H new ATOM 0 HB2 GLN A 58 9.022 -6.339 6.418 1.00 0.16 H new ATOM 0 HB3 GLN A 58 7.598 -6.409 7.436 1.00 0.16 H new ATOM 0 HG2 GLN A 58 6.152 -6.023 5.395 1.00 0.10 H new ATOM 0 HG3 GLN A 58 7.592 -6.035 4.396 1.00 0.10 H new ATOM 0 HE21 GLN A 58 5.948 -8.091 6.912 1.00 1.87 H new ATOM 0 HE22 GLN A 58 6.400 -9.622 6.154 1.00 1.87 H new ATOM 912 N PHE A 59 7.970 -3.108 4.583 1.00 0.16 N ATOM 913 CA PHE A 59 8.596 -2.515 3.366 1.00 0.16 C ATOM 914 C PHE A 59 9.317 -1.215 3.732 1.00 0.18 C ATOM 915 O PHE A 59 10.530 -1.141 3.710 1.00 0.23 O ATOM 916 CB PHE A 59 7.513 -2.219 2.327 1.00 0.14 C ATOM 917 CG PHE A 59 8.163 -1.828 1.021 1.00 0.17 C ATOM 918 CD1 PHE A 59 8.504 -0.492 0.782 1.00 0.26 C ATOM 919 CD2 PHE A 59 8.423 -2.802 0.049 1.00 0.30 C ATOM 920 CE1 PHE A 59 9.108 -0.129 -0.428 1.00 0.28 C ATOM 921 CE2 PHE A 59 9.027 -2.439 -1.161 1.00 0.35 C ATOM 922 CZ PHE A 59 9.369 -1.103 -1.399 1.00 0.26 C ATOM 0 H PHE A 59 6.987 -2.876 4.724 1.00 0.16 H new ATOM 0 HA PHE A 59 9.316 -3.222 2.954 1.00 0.16 H new ATOM 0 HB2 PHE A 59 6.882 -3.096 2.183 1.00 0.14 H new ATOM 0 HB3 PHE A 59 6.866 -1.415 2.679 1.00 0.14 H new ATOM 0 HD1 PHE A 59 8.301 0.259 1.531 1.00 0.26 H new ATOM 0 HD2 PHE A 59 8.158 -3.833 0.233 1.00 0.30 H new ATOM 0 HE1 PHE A 59 9.372 0.902 -0.612 1.00 0.28 H new ATOM 0 HE2 PHE A 59 9.229 -3.190 -1.910 1.00 0.35 H new ATOM 0 HZ PHE A 59 9.835 -0.823 -2.332 1.00 0.26 H new ATOM 932 N TYR A 60 8.584 -0.186 4.060 1.00 0.14 N ATOM 933 CA TYR A 60 9.234 1.109 4.416 1.00 0.15 C ATOM 934 C TYR A 60 9.787 1.040 5.841 1.00 0.13 C ATOM 935 O TYR A 60 10.400 1.972 6.323 1.00 0.11 O ATOM 936 CB TYR A 60 8.208 2.241 4.322 1.00 0.18 C ATOM 937 CG TYR A 60 7.125 2.034 5.355 1.00 0.19 C ATOM 938 CD1 TYR A 60 7.345 2.408 6.687 1.00 0.19 C ATOM 939 CD2 TYR A 60 5.902 1.468 4.980 1.00 0.22 C ATOM 940 CE1 TYR A 60 6.340 2.215 7.643 1.00 0.21 C ATOM 941 CE2 TYR A 60 4.896 1.275 5.935 1.00 0.23 C ATOM 942 CZ TYR A 60 5.116 1.648 7.267 1.00 0.23 C ATOM 943 OH TYR A 60 4.126 1.459 8.210 1.00 0.25 O ATOM 0 H TYR A 60 7.565 -0.185 4.097 1.00 0.14 H new ATOM 0 HA TYR A 60 10.053 1.300 3.722 1.00 0.15 H new ATOM 0 HB2 TYR A 60 8.697 3.202 4.481 1.00 0.18 H new ATOM 0 HB3 TYR A 60 7.771 2.267 3.324 1.00 0.18 H new ATOM 0 HD1 TYR A 60 8.289 2.845 6.977 1.00 0.19 H new ATOM 0 HD2 TYR A 60 5.733 1.180 3.953 1.00 0.22 H new ATOM 0 HE1 TYR A 60 6.509 2.503 8.670 1.00 0.21 H new ATOM 0 HE2 TYR A 60 3.952 0.839 5.645 1.00 0.23 H new ATOM 0 HH TYR A 60 3.341 1.057 7.784 1.00 0.25 H new ATOM 953 N SER A 61 9.582 -0.054 6.522 1.00 0.14 N ATOM 954 CA SER A 61 10.102 -0.171 7.915 1.00 0.12 C ATOM 955 C SER A 61 11.491 -0.812 7.887 1.00 0.09 C ATOM 956 O SER A 61 12.383 -0.413 8.609 1.00 0.07 O ATOM 957 CB SER A 61 9.157 -1.041 8.743 1.00 0.12 C ATOM 958 OG SER A 61 7.854 -0.471 8.720 1.00 0.18 O ATOM 0 H SER A 61 9.078 -0.870 6.176 1.00 0.14 H new ATOM 0 HA SER A 61 10.167 0.821 8.362 1.00 0.12 H new ATOM 0 HB2 SER A 61 9.131 -2.054 8.341 1.00 0.12 H new ATOM 0 HB3 SER A 61 9.517 -1.114 9.769 1.00 0.12 H new ATOM 0 HG SER A 61 7.318 -0.907 8.025 1.00 0.18 H new ATOM 964 N HIS A 62 11.682 -1.803 7.059 1.00 0.08 N ATOM 965 CA HIS A 62 13.013 -2.468 6.988 1.00 0.06 C ATOM 966 C HIS A 62 13.881 -1.766 5.940 1.00 0.09 C ATOM 967 O HIS A 62 15.056 -1.539 6.145 1.00 0.13 O ATOM 968 CB HIS A 62 12.829 -3.936 6.596 1.00 0.06 C ATOM 969 CG HIS A 62 12.298 -4.707 7.773 1.00 0.20 C ATOM 970 ND1 HIS A 62 12.468 -4.275 9.080 1.00 1.01 N ATOM 971 CD2 HIS A 62 11.598 -5.886 7.857 1.00 1.16 C ATOM 972 CE1 HIS A 62 11.883 -5.180 9.886 1.00 0.73 C ATOM 973 NE2 HIS A 62 11.337 -6.182 9.191 1.00 0.81 N ATOM 0 H HIS A 62 10.974 -2.180 6.429 1.00 0.08 H new ATOM 0 HA HIS A 62 13.500 -2.409 7.961 1.00 0.06 H new ATOM 0 HB2 HIS A 62 12.140 -4.015 5.755 1.00 0.06 H new ATOM 0 HB3 HIS A 62 13.780 -4.358 6.270 1.00 0.06 H new ATOM 0 HD2 HIS A 62 11.296 -6.491 7.015 1.00 1.16 H new ATOM 0 HE1 HIS A 62 11.858 -5.105 10.963 1.00 0.73 H new ATOM 0 HE2 HIS A 62 10.836 -6.991 9.560 1.00 0.81 H new ATOM 981 N HIS A 63 13.311 -1.422 4.818 1.00 0.21 N ATOM 982 CA HIS A 63 14.105 -0.737 3.758 1.00 0.23 C ATOM 983 C HIS A 63 14.543 0.641 4.257 1.00 0.24 C ATOM 984 O HIS A 63 15.706 0.988 4.209 1.00 0.24 O ATOM 985 CB HIS A 63 13.248 -0.579 2.501 1.00 0.25 C ATOM 986 CG HIS A 63 12.854 -1.936 1.989 1.00 0.21 C ATOM 987 ND1 HIS A 63 13.757 -2.983 1.900 1.00 0.38 N ATOM 988 CD2 HIS A 63 11.658 -2.434 1.535 1.00 0.19 C ATOM 989 CE1 HIS A 63 13.097 -4.048 1.410 1.00 0.41 C ATOM 990 NE2 HIS A 63 11.814 -3.768 1.170 1.00 0.26 N ATOM 0 H HIS A 63 12.331 -1.585 4.589 1.00 0.21 H new ATOM 0 HA HIS A 63 14.987 -1.333 3.523 1.00 0.23 H new ATOM 0 HB2 HIS A 63 12.358 0.009 2.726 1.00 0.25 H new ATOM 0 HB3 HIS A 63 13.803 -0.037 1.735 1.00 0.25 H new ATOM 0 HD2 HIS A 63 10.736 -1.875 1.471 1.00 0.19 H new ATOM 0 HE1 HIS A 63 13.550 -5.012 1.232 1.00 0.41 H new ATOM 0 HE2 HIS A 63 11.101 -4.396 0.799 1.00 0.26 H new ATOM 998 N GLU A 64 13.620 1.432 4.733 1.00 0.26 N ATOM 999 CA GLU A 64 13.987 2.788 5.232 1.00 0.27 C ATOM 1000 C GLU A 64 15.204 2.679 6.152 1.00 0.21 C ATOM 1001 O GLU A 64 15.921 3.637 6.365 1.00 0.12 O ATOM 1002 CB GLU A 64 12.811 3.380 6.012 1.00 0.32 C ATOM 1003 CG GLU A 64 13.192 4.767 6.535 1.00 0.43 C ATOM 1004 CD GLU A 64 13.914 4.627 7.876 1.00 1.15 C ATOM 1005 OE1 GLU A 64 13.359 3.998 8.762 1.00 1.36 O ATOM 1006 OE2 GLU A 64 15.009 5.150 7.995 1.00 2.26 O ATOM 0 H GLU A 64 12.629 1.198 4.798 1.00 0.26 H new ATOM 0 HA GLU A 64 14.225 3.434 4.387 1.00 0.27 H new ATOM 0 HB2 GLU A 64 11.933 3.450 5.370 1.00 0.32 H new ATOM 0 HB3 GLU A 64 12.546 2.726 6.843 1.00 0.32 H new ATOM 0 HG2 GLU A 64 13.834 5.275 5.815 1.00 0.43 H new ATOM 0 HG3 GLU A 64 12.299 5.381 6.653 1.00 0.43 H new ATOM 1013 N LYS A 65 15.443 1.518 6.698 1.00 0.28 N ATOM 1014 CA LYS A 65 16.613 1.347 7.605 1.00 0.26 C ATOM 1015 C LYS A 65 17.811 0.842 6.798 1.00 0.26 C ATOM 1016 O LYS A 65 18.951 1.065 7.155 1.00 0.32 O ATOM 1017 CB LYS A 65 16.269 0.329 8.698 1.00 0.30 C ATOM 1018 CG LYS A 65 15.025 0.790 9.471 1.00 0.69 C ATOM 1019 CD LYS A 65 15.389 1.899 10.469 1.00 1.26 C ATOM 1020 CE LYS A 65 15.194 1.381 11.894 1.00 0.99 C ATOM 1021 NZ LYS A 65 16.098 0.219 12.129 1.00 1.93 N ATOM 0 H LYS A 65 14.879 0.681 6.555 1.00 0.28 H new ATOM 0 HA LYS A 65 16.860 2.304 8.065 1.00 0.26 H new ATOM 0 HB2 LYS A 65 16.089 -0.649 8.252 1.00 0.30 H new ATOM 0 HB3 LYS A 65 17.111 0.217 9.381 1.00 0.30 H new ATOM 0 HG2 LYS A 65 14.271 1.154 8.773 1.00 0.69 H new ATOM 0 HG3 LYS A 65 14.586 -0.055 10.002 1.00 0.69 H new ATOM 0 HD2 LYS A 65 16.423 2.211 10.322 1.00 1.26 H new ATOM 0 HD3 LYS A 65 14.764 2.776 10.300 1.00 1.26 H new ATOM 0 HE2 LYS A 65 15.408 2.172 12.612 1.00 0.99 H new ATOM 0 HE3 LYS A 65 14.156 1.084 12.046 1.00 0.99 H new ATOM 0 HZ1 LYS A 65 16.307 0.142 13.145 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 15.634 -0.653 11.804 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 16.984 0.357 11.603 1.00 1.93 H new ATOM 1035 N ASP A 66 17.563 0.163 5.712 1.00 0.23 N ATOM 1036 CA ASP A 66 18.688 -0.354 4.884 1.00 0.24 C ATOM 1037 C ASP A 66 19.228 0.770 3.998 1.00 0.26 C ATOM 1038 O ASP A 66 18.502 1.658 3.594 1.00 0.25 O ATOM 1039 CB ASP A 66 18.189 -1.502 4.004 1.00 0.26 C ATOM 1040 CG ASP A 66 19.362 -2.417 3.646 1.00 0.46 C ATOM 1041 OD1 ASP A 66 20.375 -1.903 3.203 1.00 1.56 O ATOM 1042 OD2 ASP A 66 19.225 -3.618 3.821 1.00 0.90 O ATOM 0 H ASP A 66 16.630 -0.056 5.363 1.00 0.23 H new ATOM 0 HA ASP A 66 19.483 -0.716 5.537 1.00 0.24 H new ATOM 0 HB2 ASP A 66 17.419 -2.068 4.528 1.00 0.26 H new ATOM 0 HB3 ASP A 66 17.732 -1.107 3.097 1.00 0.26 H new ATOM 1047 N THR A 67 20.495 0.742 3.692 1.00 0.31 N ATOM 1048 CA THR A 67 21.079 1.811 2.833 1.00 0.35 C ATOM 1049 C THR A 67 20.931 1.419 1.361 1.00 0.32 C ATOM 1050 O THR A 67 21.853 1.556 0.580 1.00 0.39 O ATOM 1051 CB THR A 67 22.561 1.983 3.170 1.00 0.42 C ATOM 1052 OG1 THR A 67 23.329 1.075 2.393 1.00 0.65 O ATOM 1053 CG2 THR A 67 22.785 1.703 4.657 1.00 0.79 C ATOM 0 H THR A 67 21.152 0.025 3.999 1.00 0.31 H new ATOM 0 HA THR A 67 20.555 2.750 3.013 1.00 0.35 H new ATOM 0 HB THR A 67 22.869 3.004 2.946 1.00 0.42 H new ATOM 0 HG1 THR A 67 23.358 1.384 1.463 1.00 0.65 H new ATOM 0 HG21 THR A 67 23.841 1.826 4.895 1.00 0.79 H new ATOM 0 HG22 THR A 67 22.195 2.401 5.251 1.00 0.79 H new ATOM 0 HG23 THR A 67 22.478 0.682 4.885 1.00 0.79 H new ATOM 1061 N ARG A 68 19.781 0.931 0.979 1.00 0.21 N ATOM 1062 CA ARG A 68 19.568 0.525 -0.440 1.00 0.18 C ATOM 1063 C ARG A 68 18.812 1.629 -1.185 1.00 0.15 C ATOM 1064 O ARG A 68 19.300 2.186 -2.148 1.00 0.11 O ATOM 1065 CB ARG A 68 18.748 -0.766 -0.481 1.00 0.20 C ATOM 1066 CG ARG A 68 19.488 -1.867 0.283 1.00 0.27 C ATOM 1067 CD ARG A 68 20.082 -2.868 -0.710 1.00 0.52 C ATOM 1068 NE ARG A 68 18.986 -3.668 -1.324 1.00 1.42 N ATOM 1069 CZ ARG A 68 19.213 -4.367 -2.403 1.00 1.68 C ATOM 1070 NH1 ARG A 68 20.401 -4.366 -2.943 1.00 0.97 N ATOM 1071 NH2 ARG A 68 18.254 -5.068 -2.940 1.00 3.18 N ATOM 0 H ARG A 68 18.977 0.796 1.592 1.00 0.21 H new ATOM 0 HA ARG A 68 20.534 0.362 -0.918 1.00 0.18 H new ATOM 0 HB2 ARG A 68 17.766 -0.599 -0.039 1.00 0.20 H new ATOM 0 HB3 ARG A 68 18.585 -1.073 -1.514 1.00 0.20 H new ATOM 0 HG2 ARG A 68 20.279 -1.432 0.894 1.00 0.27 H new ATOM 0 HG3 ARG A 68 18.804 -2.375 0.963 1.00 0.27 H new ATOM 0 HD2 ARG A 68 20.640 -2.341 -1.484 1.00 0.52 H new ATOM 0 HD3 ARG A 68 20.786 -3.526 -0.202 1.00 0.52 H new ATOM 0 HE ARG A 68 18.058 -3.670 -0.901 1.00 1.42 H new ATOM 0 HH11 ARG A 68 21.152 -3.819 -2.522 1.00 0.97 H new ATOM 0 HH12 ARG A 68 20.578 -4.912 -3.786 1.00 0.97 H new ATOM 0 HH21 ARG A 68 17.326 -5.070 -2.517 1.00 3.18 H new ATOM 0 HH22 ARG A 68 18.432 -5.614 -3.783 1.00 3.18 H new ATOM 1085 N CYS A 69 17.623 1.944 -0.751 1.00 0.20 N ATOM 1086 CA CYS A 69 16.835 3.006 -1.438 1.00 0.18 C ATOM 1087 C CYS A 69 17.186 4.375 -0.849 1.00 0.24 C ATOM 1088 O CYS A 69 16.808 5.402 -1.376 1.00 0.24 O ATOM 1089 CB CYS A 69 15.342 2.737 -1.246 1.00 0.26 C ATOM 1090 SG CYS A 69 15.017 0.968 -1.452 1.00 0.34 S ATOM 0 H CYS A 69 17.163 1.512 0.050 1.00 0.20 H new ATOM 0 HA CYS A 69 17.074 3.000 -2.501 1.00 0.18 H new ATOM 0 HB2 CYS A 69 15.027 3.063 -0.254 1.00 0.26 H new ATOM 0 HB3 CYS A 69 14.762 3.311 -1.969 1.00 0.26 H new ATOM 1095 N LEU A 70 17.905 4.400 0.240 1.00 0.65 N ATOM 1096 CA LEU A 70 18.275 5.706 0.854 1.00 0.80 C ATOM 1097 C LEU A 70 18.978 6.576 -0.189 1.00 0.92 C ATOM 1098 O LEU A 70 18.826 7.782 -0.211 1.00 1.21 O ATOM 1099 CB LEU A 70 19.219 5.468 2.037 1.00 0.59 C ATOM 1100 CG LEU A 70 18.406 5.169 3.304 1.00 0.71 C ATOM 1101 CD1 LEU A 70 19.349 4.706 4.416 1.00 0.66 C ATOM 1102 CD2 LEU A 70 17.660 6.427 3.768 1.00 0.95 C ATOM 0 H LEU A 70 18.251 3.575 0.730 1.00 0.65 H new ATOM 0 HA LEU A 70 17.374 6.210 1.204 1.00 0.80 H new ATOM 0 HB2 LEU A 70 19.887 4.635 1.818 1.00 0.59 H new ATOM 0 HB3 LEU A 70 19.846 6.346 2.195 1.00 0.59 H new ATOM 0 HG LEU A 70 17.681 4.387 3.080 1.00 0.71 H new ATOM 0 HD11 LEU A 70 18.773 4.493 5.317 1.00 0.66 H new ATOM 0 HD12 LEU A 70 19.871 3.804 4.098 1.00 0.66 H new ATOM 0 HD13 LEU A 70 20.076 5.491 4.627 1.00 0.66 H new ATOM 0 HD21 LEU A 70 17.088 6.200 4.667 1.00 0.95 H new ATOM 0 HD22 LEU A 70 18.379 7.217 3.985 1.00 0.95 H new ATOM 0 HD23 LEU A 70 16.983 6.759 2.981 1.00 0.95 H new ATOM 1114 N GLY A 71 19.747 5.975 -1.055 1.00 0.95 N ATOM 1115 CA GLY A 71 20.459 6.767 -2.097 1.00 1.25 C ATOM 1116 C GLY A 71 21.752 7.338 -1.510 1.00 0.91 C ATOM 1117 O GLY A 71 22.254 6.862 -0.511 1.00 0.76 O ATOM 0 H GLY A 71 19.913 4.969 -1.086 1.00 0.95 H new ATOM 0 HA2 GLY A 71 20.685 6.136 -2.957 1.00 1.25 H new ATOM 0 HA3 GLY A 71 19.821 7.576 -2.454 1.00 1.25 H new ATOM 1121 N ALA A 72 22.295 8.353 -2.124 1.00 0.91 N ATOM 1122 CA ALA A 72 23.556 8.951 -1.602 1.00 0.67 C ATOM 1123 C ALA A 72 23.563 10.454 -1.888 1.00 0.39 C ATOM 1124 O ALA A 72 24.056 11.243 -1.106 1.00 0.36 O ATOM 1125 CB ALA A 72 24.755 8.295 -2.288 1.00 1.00 C ATOM 0 H ALA A 72 21.920 8.794 -2.964 1.00 0.91 H new ATOM 0 HA ALA A 72 23.619 8.785 -0.527 1.00 0.67 H new ATOM 0 HB1 ALA A 72 25.677 8.733 -1.906 1.00 1.00 H new ATOM 0 HB2 ALA A 72 24.750 7.224 -2.084 1.00 1.00 H new ATOM 0 HB3 ALA A 72 24.694 8.460 -3.364 1.00 1.00 H new ATOM 1131 N THR A 73 23.021 10.857 -3.005 1.00 0.39 N ATOM 1132 CA THR A 73 22.996 12.308 -3.341 1.00 0.34 C ATOM 1133 C THR A 73 22.028 13.033 -2.403 1.00 0.34 C ATOM 1134 O THR A 73 21.427 12.436 -1.532 1.00 0.34 O ATOM 1135 CB THR A 73 22.537 12.490 -4.789 1.00 0.52 C ATOM 1136 OG1 THR A 73 22.749 11.282 -5.505 1.00 0.85 O ATOM 1137 CG2 THR A 73 23.336 13.621 -5.441 1.00 1.52 C ATOM 0 H THR A 73 22.594 10.243 -3.699 1.00 0.39 H new ATOM 0 HA THR A 73 23.996 12.725 -3.223 1.00 0.34 H new ATOM 0 HB THR A 73 21.477 12.742 -4.807 1.00 0.52 H new ATOM 0 HG1 THR A 73 22.454 11.395 -6.433 1.00 0.85 H new ATOM 0 HG21 THR A 73 23.008 13.750 -6.473 1.00 1.52 H new ATOM 0 HG22 THR A 73 23.172 14.547 -4.890 1.00 1.52 H new ATOM 0 HG23 THR A 73 24.397 13.373 -5.426 1.00 1.52 H new ATOM 1145 N ALA A 74 21.872 14.318 -2.574 1.00 0.34 N ATOM 1146 CA ALA A 74 20.942 15.079 -1.693 1.00 0.36 C ATOM 1147 C ALA A 74 19.544 15.087 -2.313 1.00 0.32 C ATOM 1148 O ALA A 74 18.547 15.105 -1.618 1.00 0.32 O ATOM 1149 CB ALA A 74 21.444 16.517 -1.545 1.00 0.39 C ATOM 0 H ALA A 74 22.348 14.873 -3.285 1.00 0.34 H new ATOM 0 HA ALA A 74 20.900 14.606 -0.712 1.00 0.36 H new ATOM 0 HB1 ALA A 74 20.765 17.075 -0.901 1.00 0.39 H new ATOM 0 HB2 ALA A 74 22.440 16.511 -1.103 1.00 0.39 H new ATOM 0 HB3 ALA A 74 21.485 16.991 -2.526 1.00 0.39 H new ATOM 1155 N GLN A 75 19.461 15.076 -3.615 1.00 0.31 N ATOM 1156 CA GLN A 75 18.126 15.083 -4.277 1.00 0.27 C ATOM 1157 C GLN A 75 17.437 13.737 -4.050 1.00 0.23 C ATOM 1158 O GLN A 75 16.227 13.654 -3.968 1.00 0.25 O ATOM 1159 CB GLN A 75 18.302 15.320 -5.778 1.00 0.27 C ATOM 1160 CG GLN A 75 19.300 14.307 -6.343 1.00 0.34 C ATOM 1161 CD GLN A 75 19.451 14.523 -7.850 1.00 0.56 C ATOM 1162 OE1 GLN A 75 20.247 13.867 -8.492 1.00 0.94 O ATOM 1163 NE2 GLN A 75 18.714 15.420 -8.445 1.00 1.58 N ATOM 0 H GLN A 75 20.260 15.062 -4.249 1.00 0.31 H new ATOM 0 HA GLN A 75 17.515 15.880 -3.853 1.00 0.27 H new ATOM 0 HB2 GLN A 75 17.343 15.224 -6.287 1.00 0.27 H new ATOM 0 HB3 GLN A 75 18.657 16.335 -5.957 1.00 0.27 H new ATOM 0 HG2 GLN A 75 20.266 14.419 -5.851 1.00 0.34 H new ATOM 0 HG3 GLN A 75 18.956 13.292 -6.143 1.00 0.34 H new ATOM 0 HE21 GLN A 75 18.046 15.970 -7.906 1.00 1.58 H new ATOM 0 HE22 GLN A 75 18.806 15.571 -9.450 1.00 1.58 H new ATOM 1172 N GLN A 76 18.196 12.681 -3.949 1.00 0.25 N ATOM 1173 CA GLN A 76 17.583 11.341 -3.727 1.00 0.21 C ATOM 1174 C GLN A 76 17.279 11.159 -2.239 1.00 0.18 C ATOM 1175 O GLN A 76 16.368 10.448 -1.864 1.00 0.15 O ATOM 1176 CB GLN A 76 18.554 10.252 -4.186 1.00 0.21 C ATOM 1177 CG GLN A 76 17.780 9.143 -4.899 1.00 0.42 C ATOM 1178 CD GLN A 76 18.747 8.035 -5.322 1.00 0.77 C ATOM 1179 OE1 GLN A 76 18.393 7.166 -6.094 1.00 1.05 O ATOM 1180 NE2 GLN A 76 19.962 8.030 -4.846 1.00 2.30 N ATOM 0 H GLN A 76 19.214 12.688 -4.011 1.00 0.25 H new ATOM 0 HA GLN A 76 16.658 11.267 -4.299 1.00 0.21 H new ATOM 0 HB2 GLN A 76 19.302 10.676 -4.856 1.00 0.21 H new ATOM 0 HB3 GLN A 76 19.089 9.843 -3.329 1.00 0.21 H new ATOM 0 HG2 GLN A 76 17.013 8.738 -4.239 1.00 0.42 H new ATOM 0 HG3 GLN A 76 17.268 9.546 -5.773 1.00 0.42 H new ATOM 0 HE21 GLN A 76 20.259 8.760 -4.198 1.00 2.30 H new ATOM 0 HE22 GLN A 76 20.615 7.296 -5.122 1.00 2.30 H new ATOM 1189 N PHE A 77 18.035 11.796 -1.388 1.00 0.20 N ATOM 1190 CA PHE A 77 17.789 11.660 0.075 1.00 0.18 C ATOM 1191 C PHE A 77 16.421 12.255 0.419 1.00 0.20 C ATOM 1192 O PHE A 77 15.674 11.704 1.204 1.00 0.30 O ATOM 1193 CB PHE A 77 18.878 12.406 0.848 1.00 0.17 C ATOM 1194 CG PHE A 77 18.523 12.441 2.315 1.00 0.33 C ATOM 1195 CD1 PHE A 77 18.805 11.338 3.129 1.00 0.50 C ATOM 1196 CD2 PHE A 77 17.910 13.575 2.860 1.00 0.40 C ATOM 1197 CE1 PHE A 77 18.475 11.369 4.489 1.00 0.66 C ATOM 1198 CE2 PHE A 77 17.580 13.607 4.220 1.00 0.58 C ATOM 1199 CZ PHE A 77 17.862 12.504 5.035 1.00 0.70 C ATOM 0 H PHE A 77 18.813 12.405 -1.643 1.00 0.20 H new ATOM 0 HA PHE A 77 17.807 10.605 0.350 1.00 0.18 H new ATOM 0 HB2 PHE A 77 19.840 11.913 0.708 1.00 0.17 H new ATOM 0 HB3 PHE A 77 18.981 13.421 0.464 1.00 0.17 H new ATOM 0 HD1 PHE A 77 19.277 10.463 2.708 1.00 0.50 H new ATOM 0 HD2 PHE A 77 17.692 14.425 2.231 1.00 0.40 H new ATOM 0 HE1 PHE A 77 18.693 10.518 5.117 1.00 0.66 H new ATOM 0 HE2 PHE A 77 17.108 14.483 4.641 1.00 0.58 H new ATOM 0 HZ PHE A 77 17.607 12.528 6.084 1.00 0.70 H new ATOM 1209 N HIS A 78 16.087 13.374 -0.162 1.00 0.16 N ATOM 1210 CA HIS A 78 14.768 14.002 0.132 1.00 0.17 C ATOM 1211 C HIS A 78 13.671 13.265 -0.639 1.00 0.19 C ATOM 1212 O HIS A 78 12.718 12.776 -0.065 1.00 0.13 O ATOM 1213 CB HIS A 78 14.794 15.470 -0.297 1.00 0.16 C ATOM 1214 CG HIS A 78 13.454 16.095 -0.029 1.00 0.45 C ATOM 1215 ND1 HIS A 78 13.105 17.340 -0.529 1.00 0.97 N ATOM 1216 CD2 HIS A 78 12.365 15.659 0.685 1.00 0.42 C ATOM 1217 CE1 HIS A 78 11.853 17.607 -0.112 1.00 1.22 C ATOM 1218 NE2 HIS A 78 11.354 16.615 0.630 1.00 0.90 N ATOM 0 H HIS A 78 16.670 13.881 -0.828 1.00 0.16 H new ATOM 0 HA HIS A 78 14.566 13.940 1.201 1.00 0.17 H new ATOM 0 HB2 HIS A 78 15.572 16.005 0.247 1.00 0.16 H new ATOM 0 HB3 HIS A 78 15.037 15.546 -1.357 1.00 0.16 H new ATOM 0 HD2 HIS A 78 12.302 14.717 1.210 1.00 0.42 H new ATOM 0 HE1 HIS A 78 11.317 18.514 -0.349 1.00 1.22 H new ATOM 0 HE2 HIS A 78 10.432 16.568 1.063 1.00 0.90 H new ATOM 1226 N ARG A 79 13.798 13.182 -1.934 1.00 0.28 N ATOM 1227 CA ARG A 79 12.763 12.476 -2.741 1.00 0.30 C ATOM 1228 C ARG A 79 12.483 11.105 -2.123 1.00 0.25 C ATOM 1229 O ARG A 79 11.408 10.556 -2.268 1.00 0.24 O ATOM 1230 CB ARG A 79 13.268 12.296 -4.174 1.00 0.38 C ATOM 1231 CG ARG A 79 12.080 12.286 -5.138 1.00 0.40 C ATOM 1232 CD ARG A 79 12.533 11.764 -6.502 1.00 0.37 C ATOM 1233 NE ARG A 79 11.519 12.125 -7.533 1.00 1.36 N ATOM 1234 CZ ARG A 79 11.824 12.052 -8.800 1.00 1.42 C ATOM 1235 NH1 ARG A 79 13.015 11.663 -9.164 1.00 0.73 N ATOM 1236 NH2 ARG A 79 10.936 12.368 -9.703 1.00 2.33 N ATOM 0 H ARG A 79 14.574 13.572 -2.469 1.00 0.28 H new ATOM 0 HA ARG A 79 11.846 13.065 -2.751 1.00 0.30 H new ATOM 0 HB2 ARG A 79 13.953 13.103 -4.433 1.00 0.38 H new ATOM 0 HB3 ARG A 79 13.827 11.364 -4.259 1.00 0.38 H new ATOM 0 HG2 ARG A 79 11.283 11.657 -4.743 1.00 0.40 H new ATOM 0 HG3 ARG A 79 11.672 13.292 -5.239 1.00 0.40 H new ATOM 0 HD2 ARG A 79 13.501 12.191 -6.764 1.00 0.37 H new ATOM 0 HD3 ARG A 79 12.661 10.682 -6.465 1.00 0.37 H new ATOM 0 HE ARG A 79 10.588 12.429 -7.249 1.00 1.36 H new ATOM 0 HH11 ARG A 79 13.709 11.416 -8.458 1.00 0.73 H new ATOM 0 HH12 ARG A 79 13.252 11.606 -10.154 1.00 0.73 H new ATOM 0 HH21 ARG A 79 10.005 12.672 -9.418 1.00 2.33 H new ATOM 0 HH22 ARG A 79 11.173 12.311 -10.693 1.00 2.33 H new ATOM 1250 N HIS A 80 13.441 10.548 -1.435 1.00 0.23 N ATOM 1251 CA HIS A 80 13.229 9.213 -0.808 1.00 0.20 C ATOM 1252 C HIS A 80 12.399 9.374 0.468 1.00 0.13 C ATOM 1253 O HIS A 80 11.435 8.667 0.685 1.00 0.08 O ATOM 1254 CB HIS A 80 14.584 8.593 -0.461 1.00 0.25 C ATOM 1255 CG HIS A 80 14.369 7.334 0.334 1.00 0.32 C ATOM 1256 ND1 HIS A 80 13.738 6.222 -0.199 1.00 0.55 N ATOM 1257 CD2 HIS A 80 14.698 6.997 1.624 1.00 0.53 C ATOM 1258 CE1 HIS A 80 13.705 5.277 0.758 1.00 0.55 C ATOM 1259 NE2 HIS A 80 14.278 5.698 1.889 1.00 0.58 N ATOM 0 H HIS A 80 14.361 10.959 -1.280 1.00 0.23 H new ATOM 0 HA HIS A 80 12.700 8.564 -1.505 1.00 0.20 H new ATOM 0 HB2 HIS A 80 15.138 8.370 -1.373 1.00 0.25 H new ATOM 0 HB3 HIS A 80 15.184 9.300 0.112 1.00 0.25 H new ATOM 0 HD2 HIS A 80 15.206 7.642 2.326 1.00 0.53 H new ATOM 0 HE1 HIS A 80 13.269 4.298 0.628 1.00 0.55 H new ATOM 0 HE2 HIS A 80 14.385 5.178 2.760 1.00 0.58 H new ATOM 1267 N LYS A 81 12.766 10.299 1.312 1.00 0.16 N ATOM 1268 CA LYS A 81 11.997 10.504 2.572 1.00 0.09 C ATOM 1269 C LYS A 81 10.522 10.736 2.236 1.00 0.08 C ATOM 1270 O LYS A 81 9.644 10.102 2.787 1.00 0.13 O ATOM 1271 CB LYS A 81 12.548 11.723 3.314 1.00 0.08 C ATOM 1272 CG LYS A 81 14.035 11.508 3.625 1.00 0.38 C ATOM 1273 CD LYS A 81 14.227 11.189 5.113 1.00 0.36 C ATOM 1274 CE LYS A 81 13.578 9.842 5.443 1.00 1.96 C ATOM 1275 NZ LYS A 81 14.076 9.362 6.763 1.00 2.24 N ATOM 0 H LYS A 81 13.564 10.921 1.184 1.00 0.16 H new ATOM 0 HA LYS A 81 12.092 9.621 3.204 1.00 0.09 H new ATOM 0 HB2 LYS A 81 12.419 12.619 2.707 1.00 0.08 H new ATOM 0 HB3 LYS A 81 11.992 11.881 4.238 1.00 0.08 H new ATOM 0 HG2 LYS A 81 14.426 10.692 3.018 1.00 0.38 H new ATOM 0 HG3 LYS A 81 14.601 12.401 3.362 1.00 0.38 H new ATOM 0 HD2 LYS A 81 15.290 11.160 5.354 1.00 0.36 H new ATOM 0 HD3 LYS A 81 13.784 11.976 5.723 1.00 0.36 H new ATOM 0 HE2 LYS A 81 12.493 9.945 5.467 1.00 1.96 H new ATOM 0 HE3 LYS A 81 13.812 9.113 4.667 1.00 1.96 H new ATOM 0 HZ1 LYS A 81 13.636 8.447 6.988 1.00 2.24 H new ATOM 0 HZ2 LYS A 81 15.109 9.249 6.724 1.00 2.24 H new ATOM 0 HZ3 LYS A 81 13.831 10.055 7.499 1.00 2.24 H new ATOM 1289 N GLN A 82 10.244 11.638 1.336 1.00 0.16 N ATOM 1290 CA GLN A 82 8.827 11.908 0.966 1.00 0.19 C ATOM 1291 C GLN A 82 8.114 10.586 0.676 1.00 0.17 C ATOM 1292 O GLN A 82 6.967 10.398 1.026 1.00 0.17 O ATOM 1293 CB GLN A 82 8.785 12.794 -0.282 1.00 0.25 C ATOM 1294 CG GLN A 82 7.362 13.318 -0.489 1.00 0.52 C ATOM 1295 CD GLN A 82 7.305 14.802 -0.123 1.00 1.36 C ATOM 1296 OE1 GLN A 82 7.670 15.649 -0.913 1.00 1.18 O ATOM 1297 NE2 GLN A 82 6.859 15.155 1.051 1.00 2.80 N ATOM 0 H GLN A 82 10.937 12.200 0.841 1.00 0.16 H new ATOM 0 HA GLN A 82 8.328 12.417 1.790 1.00 0.19 H new ATOM 0 HB2 GLN A 82 9.478 13.628 -0.172 1.00 0.25 H new ATOM 0 HB3 GLN A 82 9.105 12.226 -1.155 1.00 0.25 H new ATOM 0 HG2 GLN A 82 7.059 13.177 -1.526 1.00 0.52 H new ATOM 0 HG3 GLN A 82 6.662 12.754 0.127 1.00 0.52 H new ATOM 0 HE21 GLN A 82 6.552 14.444 1.715 1.00 2.80 H new ATOM 0 HE22 GLN A 82 6.817 16.142 1.305 1.00 2.80 H new ATOM 1306 N LEU A 83 8.787 9.667 0.038 1.00 0.16 N ATOM 1307 CA LEU A 83 8.148 8.357 -0.273 1.00 0.14 C ATOM 1308 C LEU A 83 7.752 7.664 1.034 1.00 0.11 C ATOM 1309 O LEU A 83 6.597 7.363 1.263 1.00 0.13 O ATOM 1310 CB LEU A 83 9.139 7.476 -1.039 1.00 0.13 C ATOM 1311 CG LEU A 83 8.374 6.456 -1.886 1.00 0.13 C ATOM 1312 CD1 LEU A 83 9.368 5.599 -2.671 1.00 0.13 C ATOM 1313 CD2 LEU A 83 7.538 5.557 -0.973 1.00 0.10 C ATOM 0 H LEU A 83 9.751 9.767 -0.281 1.00 0.16 H new ATOM 0 HA LEU A 83 7.260 8.519 -0.884 1.00 0.14 H new ATOM 0 HB2 LEU A 83 9.771 8.093 -1.678 1.00 0.13 H new ATOM 0 HB3 LEU A 83 9.799 6.961 -0.340 1.00 0.13 H new ATOM 0 HG LEU A 83 7.717 6.981 -2.580 1.00 0.13 H new ATOM 0 HD11 LEU A 83 8.824 4.872 -3.275 1.00 0.13 H new ATOM 0 HD12 LEU A 83 9.964 6.238 -3.322 1.00 0.13 H new ATOM 0 HD13 LEU A 83 10.025 5.075 -1.976 1.00 0.13 H new ATOM 0 HD21 LEU A 83 6.994 4.831 -1.577 1.00 0.10 H new ATOM 0 HD22 LEU A 83 8.194 5.032 -0.279 1.00 0.10 H new ATOM 0 HD23 LEU A 83 6.830 6.166 -0.412 1.00 0.10 H new ATOM 1325 N ILE A 84 8.701 7.411 1.893 1.00 0.08 N ATOM 1326 CA ILE A 84 8.379 6.741 3.183 1.00 0.07 C ATOM 1327 C ILE A 84 7.168 7.422 3.823 1.00 0.11 C ATOM 1328 O ILE A 84 6.280 6.775 4.339 1.00 0.11 O ATOM 1329 CB ILE A 84 9.580 6.844 4.127 1.00 0.06 C ATOM 1330 CG1 ILE A 84 10.865 6.511 3.363 1.00 0.06 C ATOM 1331 CG2 ILE A 84 9.407 5.859 5.285 1.00 0.09 C ATOM 1332 CD1 ILE A 84 10.675 5.213 2.575 1.00 0.08 C ATOM 0 H ILE A 84 9.686 7.640 1.757 1.00 0.08 H new ATOM 0 HA ILE A 84 8.151 5.691 2.999 1.00 0.07 H new ATOM 0 HB ILE A 84 9.644 7.859 4.519 1.00 0.06 H new ATOM 0 HG12 ILE A 84 11.118 7.326 2.685 1.00 0.06 H new ATOM 0 HG13 ILE A 84 11.697 6.406 4.059 1.00 0.06 H new ATOM 0 HG21 ILE A 84 10.262 5.933 5.956 1.00 0.09 H new ATOM 0 HG22 ILE A 84 8.495 6.097 5.832 1.00 0.09 H new ATOM 0 HG23 ILE A 84 9.340 4.844 4.893 1.00 0.09 H new ATOM 0 HD11 ILE A 84 11.591 4.979 2.033 1.00 0.08 H new ATOM 0 HD12 ILE A 84 10.443 4.400 3.263 1.00 0.08 H new ATOM 0 HD13 ILE A 84 9.855 5.334 1.867 1.00 0.08 H new ATOM 1344 N ARG A 85 7.127 8.727 3.795 1.00 0.16 N ATOM 1345 CA ARG A 85 5.974 9.449 4.402 1.00 0.19 C ATOM 1346 C ARG A 85 4.683 9.041 3.688 1.00 0.13 C ATOM 1347 O ARG A 85 3.658 8.838 4.307 1.00 0.11 O ATOM 1348 CB ARG A 85 6.183 10.957 4.256 1.00 0.29 C ATOM 1349 CG ARG A 85 6.421 11.577 5.633 1.00 0.57 C ATOM 1350 CD ARG A 85 6.846 13.037 5.471 1.00 0.58 C ATOM 1351 NE ARG A 85 7.206 13.602 6.801 1.00 1.04 N ATOM 1352 CZ ARG A 85 7.874 14.721 6.877 1.00 1.46 C ATOM 1353 NH1 ARG A 85 8.226 15.345 5.786 1.00 1.98 N ATOM 1354 NH2 ARG A 85 8.189 15.215 8.043 1.00 1.87 N ATOM 0 H ARG A 85 7.842 9.323 3.378 1.00 0.16 H new ATOM 0 HA ARG A 85 5.901 9.193 5.459 1.00 0.19 H new ATOM 0 HB2 ARG A 85 7.034 11.155 3.605 1.00 0.29 H new ATOM 0 HB3 ARG A 85 5.310 11.412 3.787 1.00 0.29 H new ATOM 0 HG2 ARG A 85 5.513 11.516 6.232 1.00 0.57 H new ATOM 0 HG3 ARG A 85 7.192 11.020 6.166 1.00 0.57 H new ATOM 0 HD2 ARG A 85 7.697 13.106 4.793 1.00 0.58 H new ATOM 0 HD3 ARG A 85 6.036 13.615 5.026 1.00 0.58 H new ATOM 0 HE ARG A 85 6.930 13.114 7.653 1.00 1.04 H new ATOM 0 HH11 ARG A 85 7.979 14.958 4.875 1.00 1.98 H new ATOM 0 HH12 ARG A 85 8.748 16.219 5.844 1.00 1.98 H new ATOM 0 HH21 ARG A 85 7.913 14.727 8.895 1.00 1.87 H new ATOM 0 HH22 ARG A 85 8.711 16.089 8.102 1.00 1.87 H new ATOM 1368 N PHE A 86 4.726 8.921 2.389 1.00 0.16 N ATOM 1369 CA PHE A 86 3.501 8.528 1.637 1.00 0.11 C ATOM 1370 C PHE A 86 3.107 7.098 2.013 1.00 0.13 C ATOM 1371 O PHE A 86 1.982 6.834 2.390 1.00 0.16 O ATOM 1372 CB PHE A 86 3.781 8.601 0.135 1.00 0.17 C ATOM 1373 CG PHE A 86 3.347 9.949 -0.393 1.00 0.22 C ATOM 1374 CD1 PHE A 86 1.985 10.256 -0.492 1.00 0.35 C ATOM 1375 CD2 PHE A 86 4.308 10.891 -0.782 1.00 0.26 C ATOM 1376 CE1 PHE A 86 1.582 11.505 -0.980 1.00 0.48 C ATOM 1377 CE2 PHE A 86 3.905 12.139 -1.270 1.00 0.38 C ATOM 1378 CZ PHE A 86 2.543 12.446 -1.370 1.00 0.48 C ATOM 0 H PHE A 86 5.556 9.078 1.817 1.00 0.16 H new ATOM 0 HA PHE A 86 2.686 9.207 1.889 1.00 0.11 H new ATOM 0 HB2 PHE A 86 4.843 8.449 -0.056 1.00 0.17 H new ATOM 0 HB3 PHE A 86 3.247 7.806 -0.385 1.00 0.17 H new ATOM 0 HD1 PHE A 86 1.245 9.529 -0.192 1.00 0.35 H new ATOM 0 HD2 PHE A 86 5.359 10.654 -0.705 1.00 0.26 H new ATOM 0 HE1 PHE A 86 0.531 11.742 -1.056 1.00 0.48 H new ATOM 0 HE2 PHE A 86 4.645 12.866 -1.570 1.00 0.38 H new ATOM 0 HZ PHE A 86 2.233 13.409 -1.748 1.00 0.48 H new ATOM 1388 N LEU A 87 4.023 6.174 1.915 1.00 0.22 N ATOM 1389 CA LEU A 87 3.695 4.764 2.266 1.00 0.35 C ATOM 1390 C LEU A 87 3.134 4.710 3.689 1.00 0.41 C ATOM 1391 O LEU A 87 2.231 3.950 3.982 1.00 0.62 O ATOM 1392 CB LEU A 87 4.964 3.909 2.186 1.00 0.35 C ATOM 1393 CG LEU A 87 5.047 3.236 0.811 1.00 0.65 C ATOM 1394 CD1 LEU A 87 6.429 2.607 0.637 1.00 0.49 C ATOM 1395 CD2 LEU A 87 3.976 2.144 0.693 1.00 1.06 C ATOM 0 H LEU A 87 4.982 6.334 1.608 1.00 0.22 H new ATOM 0 HA LEU A 87 2.952 4.379 1.567 1.00 0.35 H new ATOM 0 HB2 LEU A 87 5.844 4.531 2.351 1.00 0.35 H new ATOM 0 HB3 LEU A 87 4.955 3.153 2.972 1.00 0.35 H new ATOM 0 HG LEU A 87 4.881 3.986 0.038 1.00 0.65 H new ATOM 0 HD11 LEU A 87 6.490 2.128 -0.340 1.00 0.49 H new ATOM 0 HD12 LEU A 87 7.193 3.381 0.710 1.00 0.49 H new ATOM 0 HD13 LEU A 87 6.591 1.863 1.417 1.00 0.49 H new ATOM 0 HD21 LEU A 87 4.044 1.672 -0.287 1.00 1.06 H new ATOM 0 HD22 LEU A 87 4.134 1.394 1.468 1.00 1.06 H new ATOM 0 HD23 LEU A 87 2.988 2.589 0.814 1.00 1.06 H new ATOM 1407 N LYS A 88 3.658 5.512 4.575 1.00 0.34 N ATOM 1408 CA LYS A 88 3.152 5.507 5.975 1.00 0.45 C ATOM 1409 C LYS A 88 1.795 6.213 6.029 1.00 0.43 C ATOM 1410 O LYS A 88 1.032 6.043 6.960 1.00 0.54 O ATOM 1411 CB LYS A 88 4.144 6.239 6.880 1.00 0.46 C ATOM 1412 CG LYS A 88 4.500 5.353 8.074 1.00 0.91 C ATOM 1413 CD LYS A 88 5.309 6.161 9.090 1.00 0.93 C ATOM 1414 CE LYS A 88 6.581 6.690 8.424 1.00 1.19 C ATOM 1415 NZ LYS A 88 6.284 7.981 7.740 1.00 2.85 N ATOM 0 H LYS A 88 4.415 6.170 4.389 1.00 0.34 H new ATOM 0 HA LYS A 88 3.041 4.478 6.317 1.00 0.45 H new ATOM 0 HB2 LYS A 88 5.045 6.491 6.320 1.00 0.46 H new ATOM 0 HB3 LYS A 88 3.711 7.177 7.227 1.00 0.46 H new ATOM 0 HG2 LYS A 88 3.592 4.970 8.539 1.00 0.91 H new ATOM 0 HG3 LYS A 88 5.075 4.489 7.740 1.00 0.91 H new ATOM 0 HD2 LYS A 88 4.712 6.991 9.469 1.00 0.93 H new ATOM 0 HD3 LYS A 88 5.566 5.536 9.945 1.00 0.93 H new ATOM 0 HE2 LYS A 88 7.363 6.833 9.170 1.00 1.19 H new ATOM 0 HE3 LYS A 88 6.957 5.963 7.704 1.00 1.19 H new ATOM 0 HZ1 LYS A 88 6.371 7.857 6.711 1.00 2.85 H new ATOM 0 HZ2 LYS A 88 5.316 8.282 7.972 1.00 2.85 H new ATOM 0 HZ3 LYS A 88 6.958 8.706 8.059 1.00 2.85 H new ATOM 1429 N ARG A 89 1.488 7.003 5.038 1.00 0.32 N ATOM 1430 CA ARG A 89 0.182 7.720 5.032 1.00 0.34 C ATOM 1431 C ARG A 89 -0.935 6.740 4.664 1.00 0.33 C ATOM 1432 O ARG A 89 -1.792 6.431 5.469 1.00 0.42 O ATOM 1433 CB ARG A 89 0.227 8.854 4.005 1.00 0.36 C ATOM 1434 CG ARG A 89 -0.435 10.105 4.591 1.00 0.70 C ATOM 1435 CD ARG A 89 0.518 10.777 5.581 1.00 2.17 C ATOM 1436 NE ARG A 89 -0.242 11.209 6.786 1.00 2.56 N ATOM 1437 CZ ARG A 89 0.396 11.532 7.878 1.00 4.09 C ATOM 1438 NH1 ARG A 89 1.699 11.476 7.914 1.00 5.19 N ATOM 1439 NH2 ARG A 89 -0.270 11.912 8.934 1.00 4.67 N ATOM 0 H ARG A 89 2.086 7.183 4.231 1.00 0.32 H new ATOM 0 HA ARG A 89 -0.010 8.135 6.021 1.00 0.34 H new ATOM 0 HB2 ARG A 89 1.260 9.071 3.733 1.00 0.36 H new ATOM 0 HB3 ARG A 89 -0.287 8.552 3.092 1.00 0.36 H new ATOM 0 HG2 ARG A 89 -0.694 10.800 3.792 1.00 0.70 H new ATOM 0 HG3 ARG A 89 -1.365 9.835 5.092 1.00 0.70 H new ATOM 0 HD2 ARG A 89 1.310 10.085 5.866 1.00 2.17 H new ATOM 0 HD3 ARG A 89 0.999 11.636 5.113 1.00 2.17 H new ATOM 0 HE ARG A 89 -1.261 11.253 6.758 1.00 2.56 H new ATOM 0 HH11 ARG A 89 2.220 11.180 7.089 1.00 5.19 H new ATOM 0 HH12 ARG A 89 2.197 11.729 8.768 1.00 5.19 H new ATOM 0 HH21 ARG A 89 -1.289 11.956 8.906 1.00 4.67 H new ATOM 0 HH22 ARG A 89 0.228 12.164 9.788 1.00 4.67 H new ATOM 1453 N LEU A 90 -0.934 6.251 3.454 1.00 0.28 N ATOM 1454 CA LEU A 90 -1.997 5.294 3.038 1.00 0.27 C ATOM 1455 C LEU A 90 -1.986 4.083 3.975 1.00 0.28 C ATOM 1456 O LEU A 90 -3.015 3.514 4.281 1.00 0.40 O ATOM 1457 CB LEU A 90 -1.740 4.834 1.602 1.00 0.25 C ATOM 1458 CG LEU A 90 -0.364 4.170 1.512 1.00 0.25 C ATOM 1459 CD1 LEU A 90 -0.533 2.651 1.431 1.00 0.28 C ATOM 1460 CD2 LEU A 90 0.360 4.667 0.259 1.00 0.32 C ATOM 0 H LEU A 90 -0.244 6.473 2.737 1.00 0.28 H new ATOM 0 HA LEU A 90 -2.969 5.785 3.090 1.00 0.27 H new ATOM 0 HB2 LEU A 90 -2.514 4.133 1.290 1.00 0.25 H new ATOM 0 HB3 LEU A 90 -1.789 5.685 0.923 1.00 0.25 H new ATOM 0 HG LEU A 90 0.220 4.424 2.397 1.00 0.25 H new ATOM 0 HD11 LEU A 90 0.447 2.179 1.367 1.00 0.28 H new ATOM 0 HD12 LEU A 90 -1.050 2.294 2.322 1.00 0.28 H new ATOM 0 HD13 LEU A 90 -1.117 2.397 0.546 1.00 0.28 H new ATOM 0 HD21 LEU A 90 1.340 4.195 0.194 1.00 0.32 H new ATOM 0 HD22 LEU A 90 -0.225 4.412 -0.625 1.00 0.32 H new ATOM 0 HD23 LEU A 90 0.481 5.749 0.314 1.00 0.32 H new ATOM 1472 N ASP A 91 -0.831 3.685 4.432 1.00 0.34 N ATOM 1473 CA ASP A 91 -0.758 2.512 5.349 1.00 0.36 C ATOM 1474 C ASP A 91 -1.705 2.730 6.529 1.00 0.34 C ATOM 1475 O ASP A 91 -2.432 1.842 6.927 1.00 0.52 O ATOM 1476 CB ASP A 91 0.674 2.355 5.864 1.00 0.40 C ATOM 1477 CG ASP A 91 0.708 1.293 6.964 1.00 0.44 C ATOM 1478 OD1 ASP A 91 0.813 0.124 6.628 1.00 1.34 O ATOM 1479 OD2 ASP A 91 0.629 1.664 8.122 1.00 1.02 O ATOM 0 H ASP A 91 0.065 4.120 4.211 1.00 0.34 H new ATOM 0 HA ASP A 91 -1.050 1.610 4.811 1.00 0.36 H new ATOM 0 HB2 ASP A 91 1.336 2.069 5.047 1.00 0.40 H new ATOM 0 HB3 ASP A 91 1.039 3.306 6.251 1.00 0.40 H new ATOM 1484 N ARG A 92 -1.703 3.907 7.093 1.00 0.24 N ATOM 1485 CA ARG A 92 -2.604 4.182 8.247 1.00 0.38 C ATOM 1486 C ARG A 92 -4.051 4.245 7.758 1.00 0.32 C ATOM 1487 O ARG A 92 -4.973 3.892 8.466 1.00 0.42 O ATOM 1488 CB ARG A 92 -2.222 5.520 8.885 1.00 0.57 C ATOM 1489 CG ARG A 92 -0.772 5.460 9.367 1.00 0.84 C ATOM 1490 CD ARG A 92 -0.743 5.431 10.896 1.00 1.00 C ATOM 1491 NE ARG A 92 -1.152 6.762 11.426 1.00 2.11 N ATOM 1492 CZ ARG A 92 -1.487 6.890 12.680 1.00 2.50 C ATOM 1493 NH1 ARG A 92 -1.463 5.853 13.471 1.00 1.89 N ATOM 1494 NH2 ARG A 92 -1.845 8.056 13.145 1.00 3.61 N ATOM 0 H ARG A 92 -1.116 4.690 6.804 1.00 0.24 H new ATOM 0 HA ARG A 92 -2.504 3.386 8.985 1.00 0.38 H new ATOM 0 HB2 ARG A 92 -2.343 6.327 8.163 1.00 0.57 H new ATOM 0 HB3 ARG A 92 -2.886 5.739 9.722 1.00 0.57 H new ATOM 0 HG2 ARG A 92 -0.281 4.573 8.967 1.00 0.84 H new ATOM 0 HG3 ARG A 92 -0.219 6.324 8.999 1.00 0.84 H new ATOM 0 HD2 ARG A 92 -1.415 4.657 11.268 1.00 1.00 H new ATOM 0 HD3 ARG A 92 0.258 5.180 11.247 1.00 1.00 H new ATOM 0 HE ARG A 92 -1.170 7.573 10.808 1.00 2.11 H new ATOM 0 HH11 ARG A 92 -1.182 4.942 13.109 1.00 1.89 H new ATOM 0 HH12 ARG A 92 -1.725 5.953 14.452 1.00 1.89 H new ATOM 0 HH21 ARG A 92 -1.863 8.868 12.528 1.00 3.61 H new ATOM 0 HH22 ARG A 92 -2.107 8.155 14.126 1.00 3.61 H new ATOM 1508 N ASN A 93 -4.258 4.691 6.550 1.00 0.23 N ATOM 1509 CA ASN A 93 -5.645 4.776 6.012 1.00 0.18 C ATOM 1510 C ASN A 93 -6.251 3.374 5.941 1.00 0.10 C ATOM 1511 O ASN A 93 -7.268 3.096 6.543 1.00 0.22 O ATOM 1512 CB ASN A 93 -5.612 5.392 4.612 1.00 0.24 C ATOM 1513 CG ASN A 93 -4.980 6.783 4.679 1.00 0.37 C ATOM 1514 OD1 ASN A 93 -4.089 7.021 5.470 1.00 0.70 O ATOM 1515 ND2 ASN A 93 -5.406 7.719 3.876 1.00 1.63 N ATOM 0 H ASN A 93 -3.526 5.001 5.911 1.00 0.23 H new ATOM 0 HA ASN A 93 -6.252 5.400 6.668 1.00 0.18 H new ATOM 0 HB2 ASN A 93 -5.042 4.754 3.936 1.00 0.24 H new ATOM 0 HB3 ASN A 93 -6.623 5.460 4.209 1.00 0.24 H new ATOM 0 HD21 ASN A 93 -4.991 8.650 3.912 1.00 1.63 H new ATOM 0 HD22 ASN A 93 -6.154 7.520 3.212 1.00 1.63 H new ATOM 1522 N LEU A 94 -5.635 2.487 5.208 1.00 0.22 N ATOM 1523 CA LEU A 94 -6.177 1.103 5.099 1.00 0.19 C ATOM 1524 C LEU A 94 -6.498 0.570 6.496 1.00 0.28 C ATOM 1525 O LEU A 94 -7.646 0.441 6.873 1.00 0.50 O ATOM 1526 CB LEU A 94 -5.136 0.197 4.435 1.00 0.22 C ATOM 1527 CG LEU A 94 -4.698 0.809 3.103 1.00 0.17 C ATOM 1528 CD1 LEU A 94 -3.650 -0.092 2.448 1.00 0.37 C ATOM 1529 CD2 LEU A 94 -5.909 0.938 2.174 1.00 0.18 C ATOM 0 H LEU A 94 -4.780 2.661 4.680 1.00 0.22 H new ATOM 0 HA LEU A 94 -7.085 1.115 4.496 1.00 0.19 H new ATOM 0 HB2 LEU A 94 -4.274 0.074 5.091 1.00 0.22 H new ATOM 0 HB3 LEU A 94 -5.555 -0.796 4.270 1.00 0.22 H new ATOM 0 HG LEU A 94 -4.271 1.796 3.282 1.00 0.17 H new ATOM 0 HD11 LEU A 94 -3.338 0.344 1.499 1.00 0.37 H new ATOM 0 HD12 LEU A 94 -2.786 -0.184 3.107 1.00 0.37 H new ATOM 0 HD13 LEU A 94 -4.078 -1.079 2.271 1.00 0.37 H new ATOM 0 HD21 LEU A 94 -5.595 1.374 1.226 1.00 0.18 H new ATOM 0 HD22 LEU A 94 -6.338 -0.048 1.996 1.00 0.18 H new ATOM 0 HD23 LEU A 94 -6.657 1.580 2.639 1.00 0.18 H new ATOM 1541 N TRP A 95 -5.493 0.260 7.269 1.00 0.18 N ATOM 1542 CA TRP A 95 -5.742 -0.266 8.642 1.00 0.26 C ATOM 1543 C TRP A 95 -6.778 0.615 9.344 1.00 0.31 C ATOM 1544 O TRP A 95 -7.417 0.202 10.291 1.00 0.43 O ATOM 1545 CB TRP A 95 -4.435 -0.251 9.438 1.00 0.31 C ATOM 1546 CG TRP A 95 -4.683 -0.787 10.811 1.00 0.32 C ATOM 1547 CD1 TRP A 95 -5.136 -0.061 11.859 1.00 0.41 C ATOM 1548 CD2 TRP A 95 -4.501 -2.146 11.303 1.00 0.30 C ATOM 1549 NE1 TRP A 95 -5.244 -0.888 12.962 1.00 0.37 N ATOM 1550 CE2 TRP A 95 -4.864 -2.183 12.670 1.00 0.31 C ATOM 1551 CE3 TRP A 95 -4.061 -3.340 10.703 1.00 0.38 C ATOM 1552 CZ2 TRP A 95 -4.793 -3.361 13.415 1.00 0.33 C ATOM 1553 CZ3 TRP A 95 -3.988 -4.526 11.449 1.00 0.48 C ATOM 1554 CH2 TRP A 95 -4.352 -4.537 12.802 1.00 0.44 C ATOM 0 H TRP A 95 -4.510 0.348 7.010 1.00 0.18 H new ATOM 0 HA TRP A 95 -6.117 -1.288 8.579 1.00 0.26 H new ATOM 0 HB2 TRP A 95 -3.681 -0.853 8.931 1.00 0.31 H new ATOM 0 HB3 TRP A 95 -4.044 0.765 9.497 1.00 0.31 H new ATOM 0 HD1 TRP A 95 -5.374 0.992 11.838 1.00 0.41 H new ATOM 0 HE1 TRP A 95 -5.565 -0.579 13.879 1.00 0.37 H new ATOM 0 HE3 TRP A 95 -3.777 -3.344 9.661 1.00 0.38 H new ATOM 0 HZ2 TRP A 95 -5.077 -3.364 14.457 1.00 0.33 H new ATOM 0 HZ3 TRP A 95 -3.649 -5.436 10.977 1.00 0.48 H new ATOM 0 HH2 TRP A 95 -4.292 -5.453 13.371 1.00 0.44 H new ATOM 1565 N GLY A 96 -6.948 1.826 8.888 1.00 0.29 N ATOM 1566 CA GLY A 96 -7.942 2.731 9.531 1.00 0.37 C ATOM 1567 C GLY A 96 -9.354 2.324 9.107 1.00 0.55 C ATOM 1568 O GLY A 96 -10.183 1.979 9.925 1.00 0.73 O ATOM 0 H GLY A 96 -6.442 2.227 8.099 1.00 0.29 H new ATOM 0 HA2 GLY A 96 -7.848 2.679 10.616 1.00 0.37 H new ATOM 0 HA3 GLY A 96 -7.748 3.764 9.243 1.00 0.37 H new ATOM 1572 N LEU A 97 -9.634 2.362 7.833 1.00 0.57 N ATOM 1573 CA LEU A 97 -10.993 1.976 7.357 1.00 0.76 C ATOM 1574 C LEU A 97 -11.231 0.495 7.661 1.00 0.74 C ATOM 1575 O LEU A 97 -12.353 0.058 7.825 1.00 0.82 O ATOM 1576 CB LEU A 97 -11.096 2.249 5.847 1.00 0.85 C ATOM 1577 CG LEU A 97 -10.643 1.023 5.032 1.00 0.50 C ATOM 1578 CD1 LEU A 97 -11.767 -0.021 4.921 1.00 1.51 C ATOM 1579 CD2 LEU A 97 -10.246 1.479 3.626 1.00 0.56 C ATOM 0 H LEU A 97 -8.981 2.643 7.102 1.00 0.57 H new ATOM 0 HA LEU A 97 -11.755 2.563 7.870 1.00 0.76 H new ATOM 0 HB2 LEU A 97 -12.124 2.502 5.589 1.00 0.85 H new ATOM 0 HB3 LEU A 97 -10.481 3.111 5.587 1.00 0.85 H new ATOM 0 HG LEU A 97 -9.796 0.564 5.543 1.00 0.50 H new ATOM 0 HD11 LEU A 97 -11.416 -0.874 4.340 1.00 1.51 H new ATOM 0 HD12 LEU A 97 -12.053 -0.355 5.918 1.00 1.51 H new ATOM 0 HD13 LEU A 97 -12.630 0.425 4.426 1.00 1.51 H new ATOM 0 HD21 LEU A 97 -9.924 0.617 3.041 1.00 0.56 H new ATOM 0 HD22 LEU A 97 -11.102 1.947 3.140 1.00 0.56 H new ATOM 0 HD23 LEU A 97 -9.429 2.198 3.694 1.00 0.56 H new ATOM 1591 N ALA A 98 -10.185 -0.281 7.736 1.00 0.84 N ATOM 1592 CA ALA A 98 -10.352 -1.732 8.027 1.00 0.86 C ATOM 1593 C ALA A 98 -10.718 -1.917 9.502 1.00 0.82 C ATOM 1594 O ALA A 98 -11.789 -2.384 9.832 1.00 0.80 O ATOM 1595 CB ALA A 98 -9.044 -2.467 7.730 1.00 0.98 C ATOM 0 H ALA A 98 -9.221 0.028 7.608 1.00 0.84 H new ATOM 0 HA ALA A 98 -11.146 -2.139 7.401 1.00 0.86 H new ATOM 0 HB1 ALA A 98 -9.167 -3.529 7.943 1.00 0.98 H new ATOM 0 HB2 ALA A 98 -8.783 -2.336 6.680 1.00 0.98 H new ATOM 0 HB3 ALA A 98 -8.249 -2.061 8.355 1.00 0.98 H new ATOM 1601 N GLY A 99 -9.835 -1.553 10.391 1.00 0.87 N ATOM 1602 CA GLY A 99 -10.131 -1.710 11.843 1.00 0.89 C ATOM 1603 C GLY A 99 -10.161 -3.196 12.203 1.00 0.86 C ATOM 1604 O GLY A 99 -11.191 -3.836 12.152 1.00 1.50 O ATOM 0 H GLY A 99 -8.922 -1.154 10.175 1.00 0.87 H new ATOM 0 HA2 GLY A 99 -9.374 -1.197 12.436 1.00 0.89 H new ATOM 0 HA3 GLY A 99 -11.089 -1.248 12.081 1.00 0.89 H new ATOM 1608 N LEU A 100 -9.036 -3.749 12.566 1.00 0.66 N ATOM 1609 CA LEU A 100 -9.000 -5.194 12.928 1.00 0.63 C ATOM 1610 C LEU A 100 -7.944 -5.423 14.011 1.00 0.55 C ATOM 1611 O LEU A 100 -6.914 -4.778 14.033 1.00 0.77 O ATOM 1612 CB LEU A 100 -8.648 -6.022 11.690 1.00 0.56 C ATOM 1613 CG LEU A 100 -9.837 -6.908 11.314 1.00 0.55 C ATOM 1614 CD1 LEU A 100 -9.557 -7.599 9.978 1.00 0.46 C ATOM 1615 CD2 LEU A 100 -10.045 -7.966 12.399 1.00 0.83 C ATOM 0 H LEU A 100 -8.141 -3.263 12.627 1.00 0.66 H new ATOM 0 HA LEU A 100 -9.977 -5.498 13.303 1.00 0.63 H new ATOM 0 HB2 LEU A 100 -8.394 -5.364 10.859 1.00 0.56 H new ATOM 0 HB3 LEU A 100 -7.771 -6.637 11.888 1.00 0.56 H new ATOM 0 HG LEU A 100 -10.734 -6.294 11.225 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -10.404 -8.230 9.710 1.00 0.46 H new ATOM 0 HD12 LEU A 100 -9.406 -6.847 9.204 1.00 0.46 H new ATOM 0 HD13 LEU A 100 -8.661 -8.213 10.067 1.00 0.46 H new ATOM 0 HD21 LEU A 100 -10.892 -8.598 12.133 1.00 0.83 H new ATOM 0 HD22 LEU A 100 -9.148 -8.579 12.486 1.00 0.83 H new ATOM 0 HD23 LEU A 100 -10.244 -7.476 13.352 1.00 0.83 H new ATOM 1627 N ASN A 101 -8.190 -6.336 14.910 1.00 0.26 N ATOM 1628 CA ASN A 101 -7.199 -6.604 15.990 1.00 0.18 C ATOM 1629 C ASN A 101 -6.256 -7.725 15.549 1.00 0.16 C ATOM 1630 O ASN A 101 -5.228 -7.484 14.948 1.00 0.36 O ATOM 1631 CB ASN A 101 -7.935 -7.027 17.264 1.00 0.15 C ATOM 1632 CG ASN A 101 -8.522 -5.792 17.949 1.00 0.95 C ATOM 1633 OD1 ASN A 101 -7.834 -4.812 18.154 1.00 1.45 O ATOM 1634 ND2 ASN A 101 -9.775 -5.797 18.315 1.00 2.14 N ATOM 0 H ASN A 101 -9.034 -6.908 14.943 1.00 0.26 H new ATOM 0 HA ASN A 101 -6.622 -5.700 16.187 1.00 0.18 H new ATOM 0 HB2 ASN A 101 -8.729 -7.733 17.020 1.00 0.15 H new ATOM 0 HB3 ASN A 101 -7.250 -7.539 17.939 1.00 0.15 H new ATOM 0 HD21 ASN A 101 -10.176 -4.978 18.773 1.00 2.14 H new ATOM 0 HD22 ASN A 101 -10.353 -6.620 18.143 1.00 2.14 H new ATOM 1641 N SER A 102 -6.597 -8.949 15.844 1.00 0.31 N ATOM 1642 CA SER A 102 -5.719 -10.084 15.442 1.00 0.27 C ATOM 1643 C SER A 102 -5.823 -10.298 13.930 1.00 0.27 C ATOM 1644 O SER A 102 -6.900 -10.337 13.372 1.00 0.35 O ATOM 1645 CB SER A 102 -6.163 -11.354 16.168 1.00 0.32 C ATOM 1646 OG SER A 102 -7.430 -11.132 16.771 1.00 1.38 O ATOM 0 H SER A 102 -7.445 -9.212 16.346 1.00 0.31 H new ATOM 0 HA SER A 102 -4.686 -9.856 15.707 1.00 0.27 H new ATOM 0 HB2 SER A 102 -6.222 -12.186 15.466 1.00 0.32 H new ATOM 0 HB3 SER A 102 -5.430 -11.628 16.926 1.00 0.32 H new ATOM 0 HG SER A 102 -7.718 -11.945 17.236 1.00 1.38 H new ATOM 1652 N CYS A 103 -4.709 -10.435 13.263 1.00 0.21 N ATOM 1653 CA CYS A 103 -4.745 -10.645 11.788 1.00 0.27 C ATOM 1654 C CYS A 103 -3.377 -11.144 11.304 1.00 0.26 C ATOM 1655 O CYS A 103 -2.679 -10.432 10.608 1.00 0.31 O ATOM 1656 CB CYS A 103 -5.070 -9.318 11.099 1.00 0.34 C ATOM 1657 SG CYS A 103 -4.862 -9.499 9.311 1.00 0.19 S ATOM 0 H CYS A 103 -3.777 -10.411 13.676 1.00 0.21 H new ATOM 0 HA CYS A 103 -5.507 -11.385 11.545 1.00 0.27 H new ATOM 0 HB2 CYS A 103 -6.093 -9.018 11.328 1.00 0.34 H new ATOM 0 HB3 CYS A 103 -4.415 -8.531 11.474 1.00 0.34 H new ATOM 1662 N PRO A 104 -3.025 -12.350 11.685 1.00 0.21 N ATOM 1663 CA PRO A 104 -1.735 -12.943 11.289 1.00 0.23 C ATOM 1664 C PRO A 104 -1.671 -13.106 9.769 1.00 0.32 C ATOM 1665 O PRO A 104 -2.669 -13.342 9.118 1.00 0.34 O ATOM 1666 CB PRO A 104 -1.699 -14.311 11.981 1.00 0.18 C ATOM 1667 CG PRO A 104 -3.021 -14.473 12.774 1.00 0.14 C ATOM 1668 CD PRO A 104 -3.871 -13.217 12.530 1.00 0.18 C ATOM 0 HA PRO A 104 -0.888 -12.319 11.575 1.00 0.23 H new ATOM 0 HB2 PRO A 104 -1.594 -15.109 11.246 1.00 0.18 H new ATOM 0 HB3 PRO A 104 -0.841 -14.379 12.650 1.00 0.18 H new ATOM 0 HG2 PRO A 104 -3.555 -15.365 12.448 1.00 0.14 H new ATOM 0 HG3 PRO A 104 -2.816 -14.595 13.838 1.00 0.14 H new ATOM 0 HD2 PRO A 104 -4.808 -13.464 12.031 1.00 0.18 H new ATOM 0 HD3 PRO A 104 -4.129 -12.725 13.468 1.00 0.18 H new ATOM 1676 N VAL A 105 -0.503 -12.982 9.199 1.00 0.41 N ATOM 1677 CA VAL A 105 -0.372 -13.129 7.721 1.00 0.50 C ATOM 1678 C VAL A 105 0.012 -14.571 7.384 1.00 0.43 C ATOM 1679 O VAL A 105 0.700 -15.232 8.136 1.00 0.35 O ATOM 1680 CB VAL A 105 0.714 -12.181 7.209 1.00 0.65 C ATOM 1681 CG1 VAL A 105 2.071 -12.604 7.773 1.00 0.67 C ATOM 1682 CG2 VAL A 105 0.758 -12.236 5.681 1.00 0.72 C ATOM 0 H VAL A 105 0.367 -12.785 9.694 1.00 0.41 H new ATOM 0 HA VAL A 105 -1.322 -12.885 7.246 1.00 0.50 H new ATOM 0 HB VAL A 105 0.489 -11.164 7.531 1.00 0.65 H new ATOM 0 HG11 VAL A 105 2.844 -11.928 7.407 1.00 0.67 H new ATOM 0 HG12 VAL A 105 2.040 -12.565 8.862 1.00 0.67 H new ATOM 0 HG13 VAL A 105 2.297 -13.621 7.452 1.00 0.67 H new ATOM 0 HG21 VAL A 105 1.531 -11.561 5.315 1.00 0.72 H new ATOM 0 HG22 VAL A 105 0.982 -13.253 5.360 1.00 0.72 H new ATOM 0 HG23 VAL A 105 -0.208 -11.933 5.278 1.00 0.72 H new ATOM 1692 N LYS A 106 -0.428 -15.065 6.259 1.00 0.54 N ATOM 1693 CA LYS A 106 -0.088 -16.464 5.875 1.00 0.48 C ATOM 1694 C LYS A 106 1.176 -16.463 5.012 1.00 0.42 C ATOM 1695 O LYS A 106 2.184 -15.886 5.371 1.00 0.55 O ATOM 1696 CB LYS A 106 -1.247 -17.070 5.081 1.00 0.48 C ATOM 1697 CG LYS A 106 -1.092 -18.592 5.036 1.00 0.54 C ATOM 1698 CD LYS A 106 -1.641 -19.122 3.710 1.00 1.18 C ATOM 1699 CE LYS A 106 -1.775 -20.644 3.784 1.00 1.29 C ATOM 1700 NZ LYS A 106 -1.353 -21.243 2.487 1.00 2.89 N ATOM 0 H LYS A 106 -1.008 -14.560 5.589 1.00 0.54 H new ATOM 0 HA LYS A 106 0.086 -17.056 6.774 1.00 0.48 H new ATOM 0 HB2 LYS A 106 -2.197 -16.804 5.543 1.00 0.48 H new ATOM 0 HB3 LYS A 106 -1.260 -16.665 4.069 1.00 0.48 H new ATOM 0 HG2 LYS A 106 -0.042 -18.865 5.142 1.00 0.54 H new ATOM 0 HG3 LYS A 106 -1.625 -19.047 5.871 1.00 0.54 H new ATOM 0 HD2 LYS A 106 -2.611 -18.671 3.500 1.00 1.18 H new ATOM 0 HD3 LYS A 106 -0.976 -18.844 2.892 1.00 1.18 H new ATOM 0 HE2 LYS A 106 -1.160 -21.035 4.595 1.00 1.29 H new ATOM 0 HE3 LYS A 106 -2.806 -20.919 4.005 1.00 1.29 H new ATOM 0 HZ1 LYS A 106 -1.444 -22.278 2.537 1.00 2.89 H new ATOM 0 HZ2 LYS A 106 -1.958 -20.879 1.723 1.00 2.89 H new ATOM 0 HZ3 LYS A 106 -0.362 -20.991 2.294 1.00 2.89 H new ATOM 1714 N GLU A 107 1.131 -17.103 3.876 1.00 0.26 N ATOM 1715 CA GLU A 107 2.330 -17.137 2.992 1.00 0.22 C ATOM 1716 C GLU A 107 1.885 -17.203 1.530 1.00 0.40 C ATOM 1717 O GLU A 107 0.849 -17.753 1.211 1.00 1.14 O ATOM 1718 CB GLU A 107 3.173 -18.370 3.325 1.00 0.61 C ATOM 1719 CG GLU A 107 3.957 -18.121 4.615 1.00 1.12 C ATOM 1720 CD GLU A 107 4.855 -19.324 4.907 1.00 1.23 C ATOM 1721 OE1 GLU A 107 4.762 -20.298 4.180 1.00 0.32 O ATOM 1722 OE2 GLU A 107 5.620 -19.250 5.855 1.00 2.45 O ATOM 0 H GLU A 107 0.316 -17.604 3.522 1.00 0.26 H new ATOM 0 HA GLU A 107 2.924 -16.237 3.150 1.00 0.22 H new ATOM 0 HB2 GLU A 107 2.530 -19.242 3.441 1.00 0.61 H new ATOM 0 HB3 GLU A 107 3.859 -18.586 2.506 1.00 0.61 H new ATOM 0 HG2 GLU A 107 4.560 -17.218 4.518 1.00 1.12 H new ATOM 0 HG3 GLU A 107 3.270 -17.957 5.445 1.00 1.12 H new ATOM 1729 N ALA A 108 2.658 -16.647 0.639 1.00 0.26 N ATOM 1730 CA ALA A 108 2.278 -16.678 -0.802 1.00 0.52 C ATOM 1731 C ALA A 108 3.537 -16.567 -1.664 1.00 0.38 C ATOM 1732 O ALA A 108 4.618 -16.939 -1.253 1.00 0.40 O ATOM 1733 CB ALA A 108 1.345 -15.505 -1.109 1.00 1.05 C ATOM 0 H ALA A 108 3.537 -16.172 0.846 1.00 0.26 H new ATOM 0 HA ALA A 108 1.768 -17.616 -1.023 1.00 0.52 H new ATOM 0 HB1 ALA A 108 1.067 -15.527 -2.163 1.00 1.05 H new ATOM 0 HB2 ALA A 108 0.448 -15.584 -0.495 1.00 1.05 H new ATOM 0 HB3 ALA A 108 1.855 -14.567 -0.888 1.00 1.05 H new ATOM 1739 N ASP A 109 3.406 -16.058 -2.859 1.00 0.26 N ATOM 1740 CA ASP A 109 4.595 -15.924 -3.747 1.00 0.16 C ATOM 1741 C ASP A 109 5.231 -14.548 -3.543 1.00 0.27 C ATOM 1742 O ASP A 109 5.543 -14.155 -2.436 1.00 0.44 O ATOM 1743 CB ASP A 109 4.162 -16.074 -5.206 1.00 0.12 C ATOM 1744 CG ASP A 109 3.508 -17.443 -5.407 1.00 0.16 C ATOM 1745 OD1 ASP A 109 3.668 -18.286 -4.540 1.00 0.61 O ATOM 1746 OD2 ASP A 109 2.858 -17.623 -6.424 1.00 0.84 O ATOM 0 H ASP A 109 2.527 -15.729 -3.258 1.00 0.26 H new ATOM 0 HA ASP A 109 5.320 -16.700 -3.502 1.00 0.16 H new ATOM 0 HB2 ASP A 109 3.462 -15.282 -5.472 1.00 0.12 H new ATOM 0 HB3 ASP A 109 5.024 -15.971 -5.865 1.00 0.12 H new ATOM 1751 N GLN A 110 5.425 -13.810 -4.601 1.00 0.21 N ATOM 1752 CA GLN A 110 6.041 -12.460 -4.467 1.00 0.35 C ATOM 1753 C GLN A 110 5.681 -11.612 -5.689 1.00 0.17 C ATOM 1754 O GLN A 110 5.294 -12.124 -6.720 1.00 0.12 O ATOM 1755 CB GLN A 110 7.562 -12.600 -4.373 1.00 0.52 C ATOM 1756 CG GLN A 110 8.102 -13.194 -5.675 1.00 1.65 C ATOM 1757 CD GLN A 110 9.115 -14.296 -5.353 1.00 1.87 C ATOM 1758 OE1 GLN A 110 8.763 -15.456 -5.270 1.00 2.90 O ATOM 1759 NE2 GLN A 110 10.366 -13.978 -5.164 1.00 1.37 N ATOM 0 H GLN A 110 5.183 -14.084 -5.553 1.00 0.21 H new ATOM 0 HA GLN A 110 5.665 -11.977 -3.565 1.00 0.35 H new ATOM 0 HB2 GLN A 110 8.017 -11.627 -4.189 1.00 0.52 H new ATOM 0 HB3 GLN A 110 7.827 -13.240 -3.531 1.00 0.52 H new ATOM 0 HG2 GLN A 110 7.283 -13.600 -6.269 1.00 1.65 H new ATOM 0 HG3 GLN A 110 8.574 -12.415 -6.274 1.00 1.65 H new ATOM 0 HE21 GLN A 110 10.661 -13.004 -5.234 1.00 1.37 H new ATOM 0 HE22 GLN A 110 11.049 -14.703 -4.946 1.00 1.37 H new ATOM 1768 N SER A 111 5.807 -10.317 -5.582 1.00 0.27 N ATOM 1769 CA SER A 111 5.472 -9.438 -6.737 1.00 0.23 C ATOM 1770 C SER A 111 6.320 -8.166 -6.672 1.00 0.23 C ATOM 1771 O SER A 111 6.921 -7.860 -5.662 1.00 0.20 O ATOM 1772 CB SER A 111 3.990 -9.066 -6.682 1.00 0.44 C ATOM 1773 OG SER A 111 3.616 -8.828 -5.332 1.00 0.54 O ATOM 0 H SER A 111 6.127 -9.831 -4.745 1.00 0.27 H new ATOM 0 HA SER A 111 5.679 -9.966 -7.668 1.00 0.23 H new ATOM 0 HB2 SER A 111 3.804 -8.177 -7.285 1.00 0.44 H new ATOM 0 HB3 SER A 111 3.386 -9.870 -7.103 1.00 0.44 H new ATOM 0 HG SER A 111 2.667 -8.588 -5.293 1.00 0.54 H new ATOM 1779 N THR A 112 6.373 -7.422 -7.743 1.00 0.26 N ATOM 1780 CA THR A 112 7.182 -6.171 -7.742 1.00 0.25 C ATOM 1781 C THR A 112 6.338 -5.018 -7.193 1.00 0.23 C ATOM 1782 O THR A 112 5.167 -4.895 -7.495 1.00 0.25 O ATOM 1783 CB THR A 112 7.620 -5.846 -9.172 1.00 0.27 C ATOM 1784 OG1 THR A 112 6.472 -5.669 -9.989 1.00 0.41 O ATOM 1785 CG2 THR A 112 8.470 -6.993 -9.721 1.00 0.53 C ATOM 0 H THR A 112 5.891 -7.627 -8.618 1.00 0.26 H new ATOM 0 HA THR A 112 8.062 -6.308 -7.114 1.00 0.25 H new ATOM 0 HB THR A 112 8.210 -4.929 -9.172 1.00 0.27 H new ATOM 0 HG1 THR A 112 6.751 -5.459 -10.905 1.00 0.41 H new ATOM 0 HG21 THR A 112 8.781 -6.760 -10.739 1.00 0.53 H new ATOM 0 HG22 THR A 112 9.351 -7.125 -9.094 1.00 0.53 H new ATOM 0 HG23 THR A 112 7.884 -7.912 -9.722 1.00 0.53 H new ATOM 1793 N LEU A 113 6.923 -4.174 -6.388 1.00 0.20 N ATOM 1794 CA LEU A 113 6.153 -3.031 -5.820 1.00 0.19 C ATOM 1795 C LEU A 113 5.376 -2.337 -6.941 1.00 0.18 C ATOM 1796 O LEU A 113 4.330 -1.761 -6.720 1.00 0.16 O ATOM 1797 CB LEU A 113 7.123 -2.035 -5.175 1.00 0.18 C ATOM 1798 CG LEU A 113 6.344 -0.985 -4.367 1.00 0.19 C ATOM 1799 CD1 LEU A 113 5.951 -1.540 -2.990 1.00 0.27 C ATOM 1800 CD2 LEU A 113 7.221 0.255 -4.176 1.00 0.34 C ATOM 0 H LEU A 113 7.900 -4.226 -6.099 1.00 0.20 H new ATOM 0 HA LEU A 113 5.455 -3.397 -5.067 1.00 0.19 H new ATOM 0 HB2 LEU A 113 7.819 -2.564 -4.523 1.00 0.18 H new ATOM 0 HB3 LEU A 113 7.718 -1.544 -5.945 1.00 0.18 H new ATOM 0 HG LEU A 113 5.437 -0.727 -4.913 1.00 0.19 H new ATOM 0 HD11 LEU A 113 5.401 -0.780 -2.435 1.00 0.27 H new ATOM 0 HD12 LEU A 113 5.323 -2.422 -3.119 1.00 0.27 H new ATOM 0 HD13 LEU A 113 6.850 -1.813 -2.437 1.00 0.27 H new ATOM 0 HD21 LEU A 113 6.673 1.003 -3.603 1.00 0.34 H new ATOM 0 HD22 LEU A 113 8.129 -0.020 -3.639 1.00 0.34 H new ATOM 0 HD23 LEU A 113 7.487 0.666 -5.150 1.00 0.34 H new ATOM 1812 N GLU A 114 5.881 -2.386 -8.144 1.00 0.21 N ATOM 1813 CA GLU A 114 5.171 -1.729 -9.277 1.00 0.21 C ATOM 1814 C GLU A 114 3.877 -2.487 -9.577 1.00 0.23 C ATOM 1815 O GLU A 114 2.798 -2.059 -9.219 1.00 0.20 O ATOM 1816 CB GLU A 114 6.068 -1.742 -10.516 1.00 0.24 C ATOM 1817 CG GLU A 114 5.424 -0.902 -11.622 1.00 0.26 C ATOM 1818 CD GLU A 114 6.424 -0.704 -12.762 1.00 0.41 C ATOM 1819 OE1 GLU A 114 7.132 -1.648 -13.074 1.00 1.37 O ATOM 1820 OE2 GLU A 114 6.466 0.388 -13.303 1.00 0.85 O ATOM 0 H GLU A 114 6.754 -2.852 -8.390 1.00 0.21 H new ATOM 0 HA GLU A 114 4.935 -0.699 -9.009 1.00 0.21 H new ATOM 0 HB2 GLU A 114 7.052 -1.344 -10.269 1.00 0.24 H new ATOM 0 HB3 GLU A 114 6.215 -2.766 -10.861 1.00 0.24 H new ATOM 0 HG2 GLU A 114 4.527 -1.397 -11.993 1.00 0.26 H new ATOM 0 HG3 GLU A 114 5.113 0.064 -11.225 1.00 0.26 H new ATOM 1827 N ASN A 115 3.975 -3.612 -10.231 1.00 0.29 N ATOM 1828 CA ASN A 115 2.750 -4.396 -10.553 1.00 0.32 C ATOM 1829 C ASN A 115 1.884 -4.527 -9.298 1.00 0.27 C ATOM 1830 O ASN A 115 0.677 -4.397 -9.348 1.00 0.27 O ATOM 1831 CB ASN A 115 3.150 -5.789 -11.045 1.00 0.37 C ATOM 1832 CG ASN A 115 3.623 -5.702 -12.497 1.00 0.63 C ATOM 1833 OD1 ASN A 115 4.771 -5.969 -12.791 1.00 0.40 O ATOM 1834 ND2 ASN A 115 2.780 -5.337 -13.424 1.00 1.95 N ATOM 0 H ASN A 115 4.851 -4.022 -10.556 1.00 0.29 H new ATOM 0 HA ASN A 115 2.185 -3.884 -11.332 1.00 0.32 H new ATOM 0 HB2 ASN A 115 3.943 -6.194 -10.417 1.00 0.37 H new ATOM 0 HB3 ASN A 115 2.303 -6.471 -10.968 1.00 0.37 H new ATOM 0 HD21 ASN A 115 3.085 -5.276 -14.395 1.00 1.95 H new ATOM 0 HD22 ASN A 115 1.816 -5.113 -13.177 1.00 1.95 H new ATOM 1841 N PHE A 116 2.491 -4.785 -8.172 1.00 0.23 N ATOM 1842 CA PHE A 116 1.703 -4.924 -6.916 1.00 0.19 C ATOM 1843 C PHE A 116 0.829 -3.684 -6.722 1.00 0.16 C ATOM 1844 O PHE A 116 -0.318 -3.776 -6.332 1.00 0.20 O ATOM 1845 CB PHE A 116 2.657 -5.067 -5.729 1.00 0.17 C ATOM 1846 CG PHE A 116 1.875 -4.977 -4.441 1.00 0.12 C ATOM 1847 CD1 PHE A 116 1.515 -3.726 -3.925 1.00 0.16 C ATOM 1848 CD2 PHE A 116 1.509 -6.146 -3.760 1.00 0.13 C ATOM 1849 CE1 PHE A 116 0.790 -3.643 -2.731 1.00 0.20 C ATOM 1850 CE2 PHE A 116 0.783 -6.062 -2.566 1.00 0.19 C ATOM 1851 CZ PHE A 116 0.424 -4.810 -2.051 1.00 0.22 C ATOM 0 H PHE A 116 3.499 -4.905 -8.068 1.00 0.23 H new ATOM 0 HA PHE A 116 1.069 -5.808 -6.981 1.00 0.19 H new ATOM 0 HB2 PHE A 116 3.181 -6.021 -5.783 1.00 0.17 H new ATOM 0 HB3 PHE A 116 3.415 -4.285 -5.762 1.00 0.17 H new ATOM 0 HD1 PHE A 116 1.797 -2.825 -4.449 1.00 0.16 H new ATOM 0 HD2 PHE A 116 1.787 -7.111 -4.156 1.00 0.13 H new ATOM 0 HE1 PHE A 116 0.513 -2.678 -2.334 1.00 0.20 H new ATOM 0 HE2 PHE A 116 0.500 -6.963 -2.042 1.00 0.19 H new ATOM 0 HZ PHE A 116 -0.135 -4.745 -1.129 1.00 0.22 H new ATOM 1861 N LEU A 117 1.362 -2.523 -6.990 1.00 0.20 N ATOM 1862 CA LEU A 117 0.561 -1.278 -6.820 1.00 0.16 C ATOM 1863 C LEU A 117 -0.508 -1.206 -7.913 1.00 0.23 C ATOM 1864 O LEU A 117 -1.556 -0.619 -7.732 1.00 0.27 O ATOM 1865 CB LEU A 117 1.482 -0.061 -6.926 1.00 0.18 C ATOM 1866 CG LEU A 117 1.916 0.379 -5.525 1.00 0.19 C ATOM 1867 CD1 LEU A 117 3.184 1.229 -5.627 1.00 0.19 C ATOM 1868 CD2 LEU A 117 0.803 1.208 -4.878 1.00 0.31 C ATOM 0 H LEU A 117 2.317 -2.383 -7.319 1.00 0.20 H new ATOM 0 HA LEU A 117 0.080 -1.286 -5.842 1.00 0.16 H new ATOM 0 HB2 LEU A 117 2.357 -0.306 -7.528 1.00 0.18 H new ATOM 0 HB3 LEU A 117 0.966 0.755 -7.431 1.00 0.18 H new ATOM 0 HG LEU A 117 2.114 -0.503 -4.916 1.00 0.19 H new ATOM 0 HD11 LEU A 117 3.493 1.542 -4.630 1.00 0.19 H new ATOM 0 HD12 LEU A 117 3.980 0.642 -6.086 1.00 0.19 H new ATOM 0 HD13 LEU A 117 2.984 2.109 -6.238 1.00 0.19 H new ATOM 0 HD21 LEU A 117 1.114 1.520 -3.881 1.00 0.31 H new ATOM 0 HD22 LEU A 117 0.604 2.089 -5.488 1.00 0.31 H new ATOM 0 HD23 LEU A 117 -0.103 0.606 -4.804 1.00 0.31 H new ATOM 1880 N GLU A 118 -0.250 -1.797 -9.048 1.00 0.28 N ATOM 1881 CA GLU A 118 -1.252 -1.762 -10.151 1.00 0.36 C ATOM 1882 C GLU A 118 -2.461 -2.618 -9.770 1.00 0.34 C ATOM 1883 O GLU A 118 -3.564 -2.128 -9.640 1.00 0.36 O ATOM 1884 CB GLU A 118 -0.620 -2.312 -11.431 1.00 0.44 C ATOM 1885 CG GLU A 118 -1.476 -1.917 -12.635 1.00 0.54 C ATOM 1886 CD GLU A 118 -1.004 -0.568 -13.178 1.00 1.17 C ATOM 1887 OE1 GLU A 118 -0.527 0.232 -12.389 1.00 2.15 O ATOM 1888 OE2 GLU A 118 -1.125 -0.356 -14.374 1.00 1.25 O ATOM 0 H GLU A 118 0.611 -2.302 -9.259 1.00 0.28 H new ATOM 0 HA GLU A 118 -1.574 -0.734 -10.317 1.00 0.36 H new ATOM 0 HB2 GLU A 118 0.391 -1.921 -11.547 1.00 0.44 H new ATOM 0 HB3 GLU A 118 -0.537 -3.397 -11.371 1.00 0.44 H new ATOM 0 HG2 GLU A 118 -1.403 -2.679 -13.411 1.00 0.54 H new ATOM 0 HG3 GLU A 118 -2.525 -1.857 -12.344 1.00 0.54 H new ATOM 1895 N ARG A 119 -2.263 -3.895 -9.591 1.00 0.31 N ATOM 1896 CA ARG A 119 -3.402 -4.782 -9.220 1.00 0.31 C ATOM 1897 C ARG A 119 -4.119 -4.205 -7.997 1.00 0.30 C ATOM 1898 O ARG A 119 -5.330 -4.231 -7.906 1.00 0.32 O ATOM 1899 CB ARG A 119 -2.875 -6.180 -8.889 1.00 0.30 C ATOM 1900 CG ARG A 119 -1.863 -6.089 -7.746 1.00 0.25 C ATOM 1901 CD ARG A 119 -1.086 -7.402 -7.645 1.00 0.25 C ATOM 1902 NE ARG A 119 -1.959 -8.530 -8.080 1.00 0.71 N ATOM 1903 CZ ARG A 119 -1.433 -9.690 -8.363 1.00 0.74 C ATOM 1904 NH1 ARG A 119 -0.144 -9.864 -8.263 1.00 0.35 N ATOM 1905 NH2 ARG A 119 -2.197 -10.677 -8.744 1.00 1.19 N ATOM 0 H ARG A 119 -1.362 -4.363 -9.686 1.00 0.31 H new ATOM 0 HA ARG A 119 -4.100 -4.846 -10.055 1.00 0.31 H new ATOM 0 HB2 ARG A 119 -3.700 -6.833 -8.606 1.00 0.30 H new ATOM 0 HB3 ARG A 119 -2.406 -6.621 -9.769 1.00 0.30 H new ATOM 0 HG2 ARG A 119 -1.176 -5.261 -7.920 1.00 0.25 H new ATOM 0 HG3 ARG A 119 -2.377 -5.885 -6.807 1.00 0.25 H new ATOM 0 HD2 ARG A 119 -0.193 -7.358 -8.269 1.00 0.25 H new ATOM 0 HD3 ARG A 119 -0.751 -7.561 -6.620 1.00 0.25 H new ATOM 0 HE ARG A 119 -2.967 -8.395 -8.156 1.00 0.71 H new ATOM 0 HH11 ARG A 119 0.453 -9.093 -7.963 1.00 0.35 H new ATOM 0 HH12 ARG A 119 0.267 -10.771 -8.484 1.00 0.35 H new ATOM 0 HH21 ARG A 119 -3.205 -10.541 -8.821 1.00 1.19 H new ATOM 0 HH22 ARG A 119 -1.786 -11.584 -8.965 1.00 1.19 H new ATOM 1919 N LEU A 120 -3.381 -3.684 -7.055 1.00 0.26 N ATOM 1920 CA LEU A 120 -4.022 -3.107 -5.840 1.00 0.25 C ATOM 1921 C LEU A 120 -4.908 -1.930 -6.250 1.00 0.26 C ATOM 1922 O LEU A 120 -6.101 -1.927 -6.018 1.00 0.28 O ATOM 1923 CB LEU A 120 -2.936 -2.622 -4.874 1.00 0.22 C ATOM 1924 CG LEU A 120 -3.508 -2.510 -3.455 1.00 0.22 C ATOM 1925 CD1 LEU A 120 -2.389 -2.128 -2.485 1.00 0.19 C ATOM 1926 CD2 LEU A 120 -4.600 -1.436 -3.413 1.00 0.23 C ATOM 0 H LEU A 120 -2.362 -3.633 -7.074 1.00 0.26 H new ATOM 0 HA LEU A 120 -4.630 -3.866 -5.348 1.00 0.25 H new ATOM 0 HB2 LEU A 120 -2.095 -3.315 -4.882 1.00 0.22 H new ATOM 0 HB3 LEU A 120 -2.555 -1.654 -5.199 1.00 0.22 H new ATOM 0 HG LEU A 120 -3.937 -3.470 -3.167 1.00 0.22 H new ATOM 0 HD11 LEU A 120 -2.794 -2.048 -1.476 1.00 0.19 H new ATOM 0 HD12 LEU A 120 -1.613 -2.893 -2.505 1.00 0.19 H new ATOM 0 HD13 LEU A 120 -1.962 -1.170 -2.782 1.00 0.19 H new ATOM 0 HD21 LEU A 120 -5.000 -1.363 -2.402 1.00 0.23 H new ATOM 0 HD22 LEU A 120 -4.177 -0.475 -3.705 1.00 0.23 H new ATOM 0 HD23 LEU A 120 -5.401 -1.704 -4.102 1.00 0.23 H new ATOM 1938 N LYS A 121 -4.335 -0.927 -6.859 1.00 0.25 N ATOM 1939 CA LYS A 121 -5.146 0.249 -7.283 1.00 0.25 C ATOM 1940 C LYS A 121 -6.346 -0.228 -8.103 1.00 0.24 C ATOM 1941 O LYS A 121 -7.469 0.165 -7.864 1.00 0.29 O ATOM 1942 CB LYS A 121 -4.283 1.182 -8.136 1.00 0.27 C ATOM 1943 CG LYS A 121 -5.055 2.472 -8.422 1.00 0.27 C ATOM 1944 CD LYS A 121 -4.113 3.503 -9.044 1.00 0.70 C ATOM 1945 CE LYS A 121 -3.490 2.925 -10.316 1.00 0.59 C ATOM 1946 NZ LYS A 121 -3.069 4.037 -11.214 1.00 0.98 N ATOM 0 H LYS A 121 -3.341 -0.872 -7.081 1.00 0.25 H new ATOM 0 HA LYS A 121 -5.499 0.785 -6.402 1.00 0.25 H new ATOM 0 HB2 LYS A 121 -3.352 1.410 -7.616 1.00 0.27 H new ATOM 0 HB3 LYS A 121 -4.014 0.692 -9.072 1.00 0.27 H new ATOM 0 HG2 LYS A 121 -5.886 2.269 -9.097 1.00 0.27 H new ATOM 0 HG3 LYS A 121 -5.483 2.864 -7.499 1.00 0.27 H new ATOM 0 HD2 LYS A 121 -4.660 4.417 -9.277 1.00 0.70 H new ATOM 0 HD3 LYS A 121 -3.331 3.772 -8.334 1.00 0.70 H new ATOM 0 HE2 LYS A 121 -2.631 2.303 -10.063 1.00 0.59 H new ATOM 0 HE3 LYS A 121 -4.209 2.284 -10.826 1.00 0.59 H new ATOM 0 HZ1 LYS A 121 -2.646 3.644 -12.079 1.00 0.98 H new ATOM 0 HZ2 LYS A 121 -3.898 4.613 -11.465 1.00 0.98 H new ATOM 0 HZ3 LYS A 121 -2.369 4.632 -10.726 1.00 0.98 H new ATOM 1960 N THR A 122 -6.116 -1.075 -9.069 1.00 0.23 N ATOM 1961 CA THR A 122 -7.243 -1.577 -9.904 1.00 0.22 C ATOM 1962 C THR A 122 -8.269 -2.273 -9.008 1.00 0.17 C ATOM 1963 O THR A 122 -9.461 -2.081 -9.147 1.00 0.15 O ATOM 1964 CB THR A 122 -6.710 -2.572 -10.938 1.00 0.23 C ATOM 1965 OG1 THR A 122 -5.789 -1.911 -11.796 1.00 0.57 O ATOM 1966 CG2 THR A 122 -7.872 -3.126 -11.763 1.00 0.34 C ATOM 0 H THR A 122 -5.196 -1.441 -9.316 1.00 0.23 H new ATOM 0 HA THR A 122 -7.716 -0.740 -10.417 1.00 0.22 H new ATOM 0 HB THR A 122 -6.207 -3.394 -10.428 1.00 0.23 H new ATOM 0 HG1 THR A 122 -4.923 -1.827 -11.344 1.00 0.57 H new ATOM 0 HG21 THR A 122 -7.491 -3.834 -12.499 1.00 0.34 H new ATOM 0 HG22 THR A 122 -8.577 -3.632 -11.104 1.00 0.34 H new ATOM 0 HG23 THR A 122 -8.377 -2.307 -12.275 1.00 0.34 H new ATOM 1974 N ILE A 123 -7.816 -3.082 -8.088 1.00 0.21 N ATOM 1975 CA ILE A 123 -8.766 -3.788 -7.185 1.00 0.15 C ATOM 1976 C ILE A 123 -9.605 -2.761 -6.423 1.00 0.16 C ATOM 1977 O ILE A 123 -10.800 -2.917 -6.263 1.00 0.17 O ATOM 1978 CB ILE A 123 -7.980 -4.645 -6.189 1.00 0.11 C ATOM 1979 CG1 ILE A 123 -7.586 -5.966 -6.853 1.00 0.16 C ATOM 1980 CG2 ILE A 123 -8.851 -4.932 -4.964 1.00 0.17 C ATOM 1981 CD1 ILE A 123 -6.527 -6.668 -6.003 1.00 0.16 C ATOM 0 H ILE A 123 -6.830 -3.283 -7.924 1.00 0.21 H new ATOM 0 HA ILE A 123 -9.423 -4.426 -7.776 1.00 0.15 H new ATOM 0 HB ILE A 123 -7.082 -4.110 -5.880 1.00 0.11 H new ATOM 0 HG12 ILE A 123 -8.462 -6.605 -6.963 1.00 0.16 H new ATOM 0 HG13 ILE A 123 -7.199 -5.780 -7.855 1.00 0.16 H new ATOM 0 HG21 ILE A 123 -8.292 -5.542 -4.255 1.00 0.17 H new ATOM 0 HG22 ILE A 123 -9.134 -3.992 -4.490 1.00 0.17 H new ATOM 0 HG23 ILE A 123 -9.749 -5.467 -5.273 1.00 0.17 H new ATOM 0 HD11 ILE A 123 -6.246 -7.609 -6.476 1.00 0.16 H new ATOM 0 HD12 ILE A 123 -5.648 -6.029 -5.916 1.00 0.16 H new ATOM 0 HD13 ILE A 123 -6.931 -6.867 -5.010 1.00 0.16 H new ATOM 1993 N MET A 124 -8.991 -1.711 -5.953 1.00 0.18 N ATOM 1994 CA MET A 124 -9.755 -0.675 -5.203 1.00 0.21 C ATOM 1995 C MET A 124 -10.915 -0.173 -6.065 1.00 0.27 C ATOM 1996 O MET A 124 -12.070 -0.369 -5.742 1.00 0.28 O ATOM 1997 CB MET A 124 -8.830 0.496 -4.863 1.00 0.23 C ATOM 1998 CG MET A 124 -7.657 -0.008 -4.020 1.00 0.34 C ATOM 1999 SD MET A 124 -7.338 1.158 -2.672 1.00 1.23 S ATOM 2000 CE MET A 124 -8.257 0.276 -1.387 1.00 0.64 C ATOM 0 H MET A 124 -7.993 -1.525 -6.056 1.00 0.18 H new ATOM 0 HA MET A 124 -10.146 -1.108 -4.283 1.00 0.21 H new ATOM 0 HB2 MET A 124 -8.461 0.959 -5.778 1.00 0.23 H new ATOM 0 HB3 MET A 124 -9.381 1.262 -4.317 1.00 0.23 H new ATOM 0 HG2 MET A 124 -7.883 -0.995 -3.616 1.00 0.34 H new ATOM 0 HG3 MET A 124 -6.768 -0.114 -4.641 1.00 0.34 H new ATOM 0 HE1 MET A 124 -8.193 0.829 -0.450 1.00 0.64 H new ATOM 0 HE2 MET A 124 -9.302 0.185 -1.684 1.00 0.64 H new ATOM 0 HE3 MET A 124 -7.830 -0.718 -1.252 1.00 0.64 H new ATOM 2010 N ARG A 125 -10.617 0.470 -7.161 1.00 0.41 N ATOM 2011 CA ARG A 125 -11.704 0.982 -8.042 1.00 0.46 C ATOM 2012 C ARG A 125 -12.690 -0.148 -8.346 1.00 0.34 C ATOM 2013 O ARG A 125 -13.832 0.087 -8.689 1.00 0.32 O ATOM 2014 CB ARG A 125 -11.099 1.496 -9.350 1.00 0.58 C ATOM 2015 CG ARG A 125 -10.510 2.891 -9.127 1.00 0.85 C ATOM 2016 CD ARG A 125 -9.207 3.027 -9.918 1.00 0.84 C ATOM 2017 NE ARG A 125 -8.876 4.470 -10.084 1.00 1.68 N ATOM 2018 CZ ARG A 125 -7.678 4.825 -10.460 1.00 2.24 C ATOM 2019 NH1 ARG A 125 -6.770 3.916 -10.689 1.00 2.57 N ATOM 2020 NH2 ARG A 125 -7.386 6.088 -10.604 1.00 3.00 N ATOM 0 H ARG A 125 -9.669 0.663 -7.484 1.00 0.41 H new ATOM 0 HA ARG A 125 -12.227 1.795 -7.539 1.00 0.46 H new ATOM 0 HB2 ARG A 125 -10.323 0.813 -9.697 1.00 0.58 H new ATOM 0 HB3 ARG A 125 -11.863 1.532 -10.127 1.00 0.58 H new ATOM 0 HG2 ARG A 125 -11.222 3.653 -9.444 1.00 0.85 H new ATOM 0 HG3 ARG A 125 -10.322 3.053 -8.066 1.00 0.85 H new ATOM 0 HD2 ARG A 125 -8.398 2.515 -9.398 1.00 0.84 H new ATOM 0 HD3 ARG A 125 -9.310 2.552 -10.894 1.00 0.84 H new ATOM 0 HE ARG A 125 -9.586 5.180 -9.904 1.00 1.68 H new ATOM 0 HH11 ARG A 125 -6.997 2.928 -10.574 1.00 2.57 H new ATOM 0 HH12 ARG A 125 -5.833 4.193 -10.983 1.00 2.57 H new ATOM 0 HH21 ARG A 125 -8.094 6.799 -10.423 1.00 3.00 H new ATOM 0 HH22 ARG A 125 -6.449 6.365 -10.898 1.00 3.00 H new ATOM 2034 N GLU A 126 -12.259 -1.373 -8.221 1.00 0.27 N ATOM 2035 CA GLU A 126 -13.172 -2.517 -8.502 1.00 0.16 C ATOM 2036 C GLU A 126 -14.167 -2.670 -7.350 1.00 0.11 C ATOM 2037 O GLU A 126 -15.365 -2.607 -7.539 1.00 0.09 O ATOM 2038 CB GLU A 126 -12.352 -3.801 -8.642 1.00 0.19 C ATOM 2039 CG GLU A 126 -13.042 -4.741 -9.633 1.00 0.19 C ATOM 2040 CD GLU A 126 -12.295 -6.075 -9.676 1.00 0.73 C ATOM 2041 OE1 GLU A 126 -12.459 -6.853 -8.750 1.00 1.18 O ATOM 2042 OE2 GLU A 126 -11.573 -6.298 -10.633 1.00 1.54 O ATOM 0 H GLU A 126 -11.314 -1.631 -7.936 1.00 0.27 H new ATOM 0 HA GLU A 126 -13.715 -2.330 -9.428 1.00 0.16 H new ATOM 0 HB2 GLU A 126 -11.345 -3.566 -8.987 1.00 0.19 H new ATOM 0 HB3 GLU A 126 -12.251 -4.288 -7.672 1.00 0.19 H new ATOM 0 HG2 GLU A 126 -14.078 -4.902 -9.336 1.00 0.19 H new ATOM 0 HG3 GLU A 126 -13.061 -4.290 -10.625 1.00 0.19 H new ATOM 2049 N LYS A 127 -13.679 -2.870 -6.156 1.00 0.19 N ATOM 2050 CA LYS A 127 -14.598 -3.026 -4.993 1.00 0.30 C ATOM 2051 C LYS A 127 -15.092 -1.650 -4.545 1.00 0.39 C ATOM 2052 O LYS A 127 -15.891 -1.532 -3.637 1.00 0.52 O ATOM 2053 CB LYS A 127 -13.850 -3.699 -3.840 1.00 0.45 C ATOM 2054 CG LYS A 127 -13.151 -4.960 -4.350 1.00 0.43 C ATOM 2055 CD LYS A 127 -13.042 -5.981 -3.216 1.00 0.69 C ATOM 2056 CE LYS A 127 -11.976 -7.021 -3.564 1.00 0.87 C ATOM 2057 NZ LYS A 127 -12.157 -7.465 -4.975 1.00 1.98 N ATOM 0 H LYS A 127 -12.685 -2.932 -5.936 1.00 0.19 H new ATOM 0 HA LYS A 127 -15.450 -3.641 -5.283 1.00 0.30 H new ATOM 0 HB2 LYS A 127 -13.118 -3.011 -3.417 1.00 0.45 H new ATOM 0 HB3 LYS A 127 -14.546 -3.955 -3.041 1.00 0.45 H new ATOM 0 HG2 LYS A 127 -13.710 -5.386 -5.184 1.00 0.43 H new ATOM 0 HG3 LYS A 127 -12.158 -4.711 -4.725 1.00 0.43 H new ATOM 0 HD2 LYS A 127 -12.784 -5.478 -2.284 1.00 0.69 H new ATOM 0 HD3 LYS A 127 -14.004 -6.469 -3.059 1.00 0.69 H new ATOM 0 HE2 LYS A 127 -10.981 -6.596 -3.430 1.00 0.87 H new ATOM 0 HE3 LYS A 127 -12.052 -7.875 -2.890 1.00 0.87 H new ATOM 0 HZ1 LYS A 127 -11.727 -8.404 -5.101 1.00 1.98 H new ATOM 0 HZ2 LYS A 127 -13.172 -7.516 -5.195 1.00 1.98 H new ATOM 0 HZ3 LYS A 127 -11.698 -6.785 -5.614 1.00 1.98 H new ATOM 2071 N TYR A 128 -14.625 -0.607 -5.176 1.00 0.38 N ATOM 2072 CA TYR A 128 -15.069 0.760 -4.786 1.00 0.50 C ATOM 2073 C TYR A 128 -16.564 0.912 -5.071 1.00 0.77 C ATOM 2074 O TYR A 128 -17.136 1.970 -4.895 1.00 0.94 O ATOM 2075 CB TYR A 128 -14.287 1.799 -5.592 1.00 0.44 C ATOM 2076 CG TYR A 128 -14.691 3.186 -5.151 1.00 0.51 C ATOM 2077 CD1 TYR A 128 -14.114 3.752 -4.008 1.00 0.33 C ATOM 2078 CD2 TYR A 128 -15.640 3.906 -5.885 1.00 0.78 C ATOM 2079 CE1 TYR A 128 -14.487 5.038 -3.599 1.00 0.40 C ATOM 2080 CE2 TYR A 128 -16.014 5.192 -5.476 1.00 0.84 C ATOM 2081 CZ TYR A 128 -15.437 5.758 -4.334 1.00 0.64 C ATOM 2082 OH TYR A 128 -15.804 7.025 -3.930 1.00 0.70 O ATOM 0 H TYR A 128 -13.955 -0.643 -5.945 1.00 0.38 H new ATOM 0 HA TYR A 128 -14.886 0.912 -3.722 1.00 0.50 H new ATOM 0 HB2 TYR A 128 -13.216 1.657 -5.447 1.00 0.44 H new ATOM 0 HB3 TYR A 128 -14.484 1.672 -6.657 1.00 0.44 H new ATOM 0 HD1 TYR A 128 -13.381 3.197 -3.442 1.00 0.33 H new ATOM 0 HD2 TYR A 128 -16.084 3.470 -6.767 1.00 0.78 H new ATOM 0 HE1 TYR A 128 -14.042 5.475 -2.717 1.00 0.40 H new ATOM 0 HE2 TYR A 128 -16.748 5.747 -6.042 1.00 0.84 H new ATOM 0 HH TYR A 128 -16.472 7.385 -4.550 1.00 0.70 H new